2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,N-dimethylpropanamide

C11H18N4O2 — CID 112691017

IUPAC2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,N-dimethylpropanamide
SMILESCOc1cc(C)nc(NC(C)C(=O)N(C)C)n1
InChIInChI=1S/C11H18N4O2/c1-7-6-9(17-5)14-11(12-7)13-8(2)10(16)15(3)4/h6,8H,1-5H3,(H,12,13,14)
InChIKeyKCZRIOOHESKJAS-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.68
Rot. Bonds4

About 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,N-dimethylpropanamide

2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,N-dimethylpropanamide (PubChem CID 112691017) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,N-dimethylpropanamide
PubChem CID112691017
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,N-dimethylpropanamide
SMILESCOc1cc(C)nc(NC(C)C(=O)N(C)C)n1
InChIInChI=1S/C11H18N4O2/c1-7-6-9(17-5)14-11(12-7)13-8(2)10(16)15(3)4/h6,8H,1-5H3,(H,12,13,14)
InChIKeyKCZRIOOHESKJAS-UHFFFAOYSA-N
XLogP0.68
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 112638162
2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80897678
4-methoxy-6-methyl-N-(4-methylsulfinylbutan-2-yl)pyrimidin-2-amine
CID 115669300
N-(dicyclopropylmethyl)-4-methoxy-6-methylpyrimidin-2-amine
CID 112691713
2-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propanamide
CID 107600321
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylsulfanylbutan-1-ol
CID 113239917
2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide
CID 107602431
5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methyl-5-oxopentanoic acid
CID 107605563
4-methoxy-6-methyl-N-(1-piperidin-1-ylpropan-2-yl)pyrimidin-2-amine
CID 112691746
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanol
CID 112691748
(2S)-2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-methylbutanoic acid
CID 122049707
4-methoxy-6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine
CID 112691799

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,N-dimethylpropanamide (CID 112691017) is 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,N-dimethylpropanamide is COc1cc(C)nc(NC(C)C(=O)N(C)C)n1.
What is the InChIKey of 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is KCZRIOOHESKJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7-6-9(17-5)14-11(12-7)13-8(2)10(16)15(3)4/h6,8H,1-5H3,(H,12,13,14).
What are the key properties of 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,N-dimethylpropanamide?
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 238.29 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 112691017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).