4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide

C26H33N7O — CID 138554147

IUPAC4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(Nc2ccc3c(c2)CN(C)C3)nc1Nc1cccc(C(C)(C)C)n1
InChIInChI=1S/C26H33N7O/c1-16(2)28-24(34)20-13-27-25(29-19-11-10-17-14-33(6)15-18(17)12-19)32-23(20)31-22-9-7-8-21(30-22)26(3,4)5/h7-13,16H,14-15H2,1-6H3,(H,28,34)(H2,27,29,30,31,32)
InChIKeyHSQHTELDCXZQCC-UHFFFAOYSA-N
MW459.60 g/mol
LogP4.74
Rot. Bonds6

About 4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide

4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 138554147) has the molecular formula C26H33N7O and a molecular weight of 459.60 g/mol. Its IUPAC name is 4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
PubChem CID138554147
Molecular FormulaC26H33N7O
Molecular Weight459.60 g/mol
Exact Mass459.27
IUPAC Name4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(Nc2ccc3c(c2)CN(C)C3)nc1Nc1cccc(C(C)(C)C)n1
InChIInChI=1S/C26H33N7O/c1-16(2)28-24(34)20-13-27-25(29-19-11-10-17-14-33(6)15-18(17)12-19)32-23(20)31-22-9-7-8-21(30-22)26(3,4)5/h7-13,16H,14-15H2,1-6H3,(H,28,34)(H2,27,29,30,31,32)
InChIKeyHSQHTELDCXZQCC-UHFFFAOYSA-N
XLogP4.74
TPSA95.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.60
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-[(8-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen
CID 142557222
4-[(1-tert-butylpyrazol-3-yl)amino]-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen;hydroiodide
CID 142557784
2-[(4,4-difluoro-2-methyl-1,3-dihydroisoquinolin-7-yl)amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide
CID 137472173
4-[(6-tert-butyl-2-pyridinyl)amino]-N-(cyclobutylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 142557484
4-[(2-tert-butyl-4-pyridinyl)amino]-2-[[2-(methylsulfamoylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 142557150
4-[(2-tert-butyl-4-pyridinyl)amino]-2-[(1,1-dimethyl-2,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 142557639
4-[[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]amino]-2-[4-(4-methylpiperazin-1-yl)anilino]-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen
CID 145440777
4-[(2-tert-butylpyrimidin-4-yl)amino]-N-cyclopropyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]pyrimidine-5-carboxamide
CID 138553671
4-[(6-tert-butyl-2-pyridinyl)amino]-N-ethyl-2-[(8-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]pyrimidine-5-carboxamide
CID 142557195
2-[[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide
CID 142525273
4-[(2-tert-butyl-4-pyridinyl)amino]-2-[[2-(oxolan-3-yl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen
CID 142557730
tert-butyl 6-[[4-(methylamino)-5-(propan-2-ylcarbamoyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 155709598

Frequently Asked Questions

What is the IUPAC name of 4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide (CID 138554147) is 4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide is CC(C)NC(=O)c1cnc(Nc2ccc3c(c2)CN(C)C3)nc1Nc1cccc(C(C)(C)C)n1.
What is the InChIKey of 4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is HSQHTELDCXZQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O/c1-16(2)28-24(34)20-13-27-25(29-19-11-10-17-14-33(6)15-18(17)12-19)32-23(20)31-22-9-7-8-21(30-22)26(3,4)5/h7-13,16H,14-15H2,1-6H3,(H,28,34)(H2,27,29,30,31,32).
What are the key properties of 4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide?
4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 459.60 g/mol, XLogP of 4.74, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 138554147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).