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

C27H35N7O — CID 142557639

IUPAC4-[(2-tert-butyl-4-pyridinyl)amino]-2-[(1,1-dimethyl-2,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(Nc2ccc3c(c2)CNC3(C)C)nc1Nc1ccnc(C(C)(C)C)c1
InChIInChI=1S/C27H35N7O/c1-16(2)31-24(35)20-15-29-25(33-18-8-9-21-17(12-18)14-30-27(21,6)7)34-23(20)32-19-10-11-28-22(13-19)26(3,4)5/h8-13,15-16,30H,14H2,1-7H3,(H,31,35)(H2,28,29,32,33,34)
InChIKeyBUULTNWVYPFLNN-UHFFFAOYSA-N
MW473.63 g/mol
LogP5.13
Rot. Bonds6

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

4-[(2-tert-butyl-4-pyridinyl)amino]-2-[(1,1-dimethyl-2,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 142557639) has the molecular formula C27H35N7O and a molecular weight of 473.63 g/mol. Its IUPAC name is 4-[(2-tert-butyl-4-pyridinyl)amino]-2-[(1,1-dimethyl-2,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(2-tert-butyl-4-pyridinyl)amino]-2-[(1,1-dimethyl-2,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
PubChem CID142557639
Molecular FormulaC27H35N7O
Molecular Weight473.63 g/mol
Exact Mass473.29
IUPAC Name4-[(2-tert-butyl-4-pyridinyl)amino]-2-[(1,1-dimethyl-2,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(Nc2ccc3c(c2)CNC3(C)C)nc1Nc1ccnc(C(C)(C)C)c1
InChIInChI=1S/C27H35N7O/c1-16(2)31-24(35)20-15-29-25(33-18-8-9-21-17(12-18)14-30-27(21,6)7)34-23(20)32-19-10-11-28-22(13-19)26(3,4)5/h8-13,15-16,30H,14H2,1-7H3,(H,31,35)(H2,28,29,32,33,34)
InChIKeyBUULTNWVYPFLNN-UHFFFAOYSA-N
XLogP5.13
TPSA103.86 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.63
LogP ≤ 55.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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-(oxolan-3-yl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen
CID 142557730
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]-N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 138554164
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-[(6-tert-butyl-2-pyridinyl)amino]-2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 138554147
4-[(2-tert-butylfuran-3-yl)amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 142557886
1-(2-tert-butyl-4-pyridinyl)-6-[(1,1-dimethyl-2,3-dihydroisoindol-5-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
CID 138553648
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

Frequently Asked Questions

What is the IUPAC name of 4-[(2-tert-butyl-4-pyridinyl)amino]-2-[(1,1-dimethyl-2,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 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) is 4-[(2-tert-butyl-4-pyridinyl)amino]-2-[(1,1-dimethyl-2,3-dihydroisoindol-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-2,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-[(2-tert-butyl-4-pyridinyl)amino]-2-[(1,1-dimethyl-2,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide is CC(C)NC(=O)c1cnc(Nc2ccc3c(c2)CNC3(C)C)nc1Nc1ccnc(C(C)(C)C)c1.
What is the InChIKey of 4-[(2-tert-butyl-4-pyridinyl)amino]-2-[(1,1-dimethyl-2,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is BUULTNWVYPFLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O/c1-16(2)31-24(35)20-15-29-25(33-18-8-9-21-17(12-18)14-30-27(21,6)7)34-23(20)32-19-10-11-28-22(13-19)26(3,4)5/h8-13,15-16,30H,14H2,1-7H3,(H,31,35)(H2,28,29,32,33,34).
What are the key properties of 4-[(2-tert-butyl-4-pyridinyl)amino]-2-[(1,1-dimethyl-2,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide?
4-[(2-tert-butyl-4-pyridinyl)amino]-2-[(1,1-dimethyl-2,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 473.63 g/mol, XLogP of 5.13, 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-2,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 142557639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).