3-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide

C10H15ClN4O — CID 106098086

IUPAC3-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCc1nc(Cl)cc(NC(C)(C)CC(N)=O)n1
InChIInChI=1S/C10H15ClN4O/c1-6-13-7(11)4-9(14-6)15-10(2,3)5-8(12)16/h4H,5H2,1-3H3,(H2,12,16)(H,13,14,15)
InChIKeyKXHVJEYQYDMCAY-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.50
Rot. Bonds4

About 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide

3-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide (PubChem CID 106098086) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide
PubChem CID106098086
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name3-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCc1nc(Cl)cc(NC(C)(C)CC(N)=O)n1
InChIInChI=1S/C10H15ClN4O/c1-6-13-7(11)4-9(14-6)15-10(2,3)5-8(12)16/h4H,5H2,1-3H3,(H2,12,16)(H,13,14,15)
InChIKeyKXHVJEYQYDMCAY-UHFFFAOYSA-N
XLogP1.50
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098039
3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098033
3-[(4-amino-6-chloro-2-pyridinyl)amino]-3-methylbutanamide
CID 106095681
3-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-3-methylbutanamide
CID 106098719
3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide
CID 106097339
3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098870
3-methyl-3-[(4-methyl-2-pyridinyl)amino]butanamide
CID 106097095
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl carbamate
CID 83203473
2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-5-chloropyridine-4-carboxylic acid
CID 106096927
3-methyl-3-[[6-(methylamino)pyrazin-2-yl]amino]butanamide
CID 106098847
methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-methylpyridine-3-carboxylate
CID 106097210
3-(4-amino-2,6-dichloroanilino)-3-methylbutanamide
CID 106095679

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide (CID 106098086) is 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide is Cc1nc(Cl)cc(NC(C)(C)CC(N)=O)n1.
What is the InChIKey of 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide?
The InChIKey is KXHVJEYQYDMCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-6-13-7(11)4-9(14-6)15-10(2,3)5-8(12)16/h4H,5H2,1-3H3,(H2,12,16)(H,13,14,15).
What are the key properties of 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide?
3-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide has a molecular weight of 242.71 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 106098086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).