4-[(2-tert-butyl-4-pyridinyl)amino]-2-[(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide

C27H33N7O2 — CID 142557656

IUPAC4-[(2-tert-butyl-4-pyridinyl)amino]-2-[(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(Nc2ccc3c(c2)C(=O)NC3(C)C)nc1Nc1ccnc(C(C)(C)C)c1
InChIInChI=1S/C27H33N7O2/c1-15(2)30-23(35)19-14-29-25(32-16-8-9-20-18(12-16)24(36)34-27(20,6)7)33-22(19)31-17-10-11-28-21(13-17)26(3,4)5/h8-15H,1-7H3,(H,30,35)(H,34,36)(H2,28,29,31,32,33)
InChIKeyKDQWWQUAEUHENY-UHFFFAOYSA-N
MW487.61 g/mol
LogP4.77
Rot. Bonds6

About 4-[(2-tert-butyl-4-pyridinyl)amino]-2-[(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide

4-[(2-tert-butyl-4-pyridinyl)amino]-2-[(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 142557656) has the molecular formula C27H33N7O2 and a molecular weight of 487.61 g/mol. Its IUPAC name is 4-[(2-tert-butyl-4-pyridinyl)amino]-2-[(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(2-tert-butyl-4-pyridinyl)amino]-2-[(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
PubChem CID142557656
Molecular FormulaC27H33N7O2
Molecular Weight487.61 g/mol
Exact Mass487.27
IUPAC Name4-[(2-tert-butyl-4-pyridinyl)amino]-2-[(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(Nc2ccc3c(c2)C(=O)NC3(C)C)nc1Nc1ccnc(C(C)(C)C)c1
InChIInChI=1S/C27H33N7O2/c1-15(2)30-23(35)19-14-29-25(32-16-8-9-20-18(12-16)24(36)34-27(20,6)7)33-22(19)31-17-10-11-28-21(13-17)26(3,4)5/h8-15H,1-7H3,(H,30,35)(H,34,36)(H2,28,29,31,32,33)
InChIKeyKDQWWQUAEUHENY-UHFFFAOYSA-N
XLogP4.77
TPSA120.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.61
LogP ≤ 54.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-[(2-tert-butyl-4-pyridinyl)amino]-2-[(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

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-[[2-(2-cyanopropan-2-yl)-4-pyridinyl]amino]-2-[(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 155709595
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-[[2-(oxolan-3-yl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen
CID 142557730
4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 138554147
N-propan-2-yl-4-[(2-propan-2-yl-4-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 142557319
4-[[2-[1-(fluoromethyl)cyclopropyl]-4-pyridinyl]amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 155202965
4-[(2-tert-butyl-4-pyridinyl)amino]-N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 138554164
4-[(2-tert-butylfuran-3-yl)amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 142557886
4-[[2-(1-cyanocyclopropyl)-4-pyridinyl]amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 155709224
4-(4-fluoroanilino)-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 142557766
6-(2,3-dihydro-1H-isoindol-5-ylamino)-4-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-N-propan-2-ylpyridine-3-carboxamide
CID 142557326

Frequently Asked Questions

What is the IUPAC name of 4-[(2-tert-butyl-4-pyridinyl)amino]-2-[(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-[(2-tert-butyl-4-pyridinyl)amino]-2-[(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide (CID 142557656) is 4-[(2-tert-butyl-4-pyridinyl)amino]-2-[(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(2-tert-butyl-4-pyridinyl)amino]-2-[(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-[(2-tert-butyl-4-pyridinyl)amino]-2-[(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide is CC(C)NC(=O)c1cnc(Nc2ccc3c(c2)C(=O)NC3(C)C)nc1Nc1ccnc(C(C)(C)C)c1.
What is the InChIKey of 4-[(2-tert-butyl-4-pyridinyl)amino]-2-[(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is KDQWWQUAEUHENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O2/c1-15(2)30-23(35)19-14-29-25(32-16-8-9-20-18(12-16)24(36)34-27(20,6)7)33-22(19)31-17-10-11-28-21(13-17)26(3,4)5/h8-15H,1-7H3,(H,30,35)(H,34,36)(H2,28,29,31,32,33).
What are the key properties of 4-[(2-tert-butyl-4-pyridinyl)amino]-2-[(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide?
4-[(2-tert-butyl-4-pyridinyl)amino]-2-[(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 487.61 g/mol, XLogP of 4.77, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-tert-butyl-4-pyridinyl)amino]-2-[(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 142557656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).