2,4-bis[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]pentan-3-one

C21H32N6O — CID 174613758

IUPAC2,4-bis[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]pentan-3-one
SMILESCc1cc(C(C)C(=O)C(C)c2cc(C)nc(NC(C)C)n2)nc(NC(C)C)n1
InChIInChI=1S/C21H32N6O/c1-11(2)22-20-24-13(5)9-17(26-20)15(7)19(28)16(8)18-10-14(6)25-21(27-18)23-12(3)4/h9-12,15-16H,1-8H3,(H,22,24,26)(H,23,25,27)
InChIKeyDRWZYSPTOGHGNQ-UHFFFAOYSA-N
MW384.53 g/mol
LogP4.00
Rot. Bonds8

About 2,4-bis[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]pentan-3-one

2,4-bis[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]pentan-3-one (PubChem CID 174613758) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is 2,4-bis[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]pentan-3-one.

Molecular Properties

Compound Name2,4-bis[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]pentan-3-one
PubChem CID174613758
Molecular FormulaC21H32N6O
Molecular Weight384.53 g/mol
Exact Mass384.26
IUPAC Name2,4-bis[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]pentan-3-one
SMILESCc1cc(C(C)C(=O)C(C)c2cc(C)nc(NC(C)C)n2)nc(NC(C)C)n1
InChIInChI=1S/C21H32N6O/c1-11(2)22-20-24-13(5)9-17(26-20)15(7)19(28)16(8)18-10-14(6)25-21(27-18)23-12(3)4/h9-12,15-16H,1-8H3,(H,22,24,26)(H,23,25,27)
InChIKeyDRWZYSPTOGHGNQ-UHFFFAOYSA-N
XLogP4.00
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-N-propan-2-yl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319251
4-chloro-6-methyl-N-propan-2-ylpyrimidin-2-amine
CID 53385565
N-tert-butyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319328
N-cyclopentyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319258
6-methyl-4-N-(3-methylbutyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907298
2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 79246753
4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxamide
CID 647855
N-(3,3-dimethylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine
CID 115774227
3-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methylpropanamide
CID 62728825
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylbutan-1-ol
CID 115644029
4-methyl-6-propan-2-yl-N-(1-thiophen-3-ylethyl)pyrimidin-2-amine
CID 113491500
2-(but-3-yn-2-ylamino)-6-methylpyrimidine-4-carboxylic acid
CID 107554480

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]pentan-3-one?
The IUPAC name of 2,4-bis[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]pentan-3-one (CID 174613758) is 2,4-bis[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]pentan-3-one.
What is the SMILES notation for 2,4-bis[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]pentan-3-one?
The canonical SMILES for 2,4-bis[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]pentan-3-one is Cc1cc(C(C)C(=O)C(C)c2cc(C)nc(NC(C)C)n2)nc(NC(C)C)n1.
What is the InChIKey of 2,4-bis[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]pentan-3-one?
The InChIKey is DRWZYSPTOGHGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O/c1-11(2)22-20-24-13(5)9-17(26-20)15(7)19(28)16(8)18-10-14(6)25-21(27-18)23-12(3)4/h9-12,15-16H,1-8H3,(H,22,24,26)(H,23,25,27).
What are the key properties of 2,4-bis[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]pentan-3-one?
2,4-bis[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]pentan-3-one has a molecular weight of 384.53 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]pentan-3-one is sourced from PubChem (CID 174613758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).