3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide

C15H22N6O — CID 46981387

IUPAC3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide
SMILESCc1cc(C)nc(NCCC(=O)NCCn2ccnc2C)n1
InChIInChI=1S/C15H22N6O/c1-11-10-12(2)20-15(19-11)18-5-4-14(22)17-7-9-21-8-6-16-13(21)3/h6,8,10H,4-5,7,9H2,1-3H3,(H,17,22)(H,18,19,20)
InChIKeyXFKFRAKEFMSQDI-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.22
Rot. Bonds7

About 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide

3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide (PubChem CID 46981387) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide
PubChem CID46981387
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide
SMILESCc1cc(C)nc(NCCC(=O)NCCn2ccnc2C)n1
InChIInChI=1S/C15H22N6O/c1-11-10-12(2)20-15(19-11)18-5-4-14(22)17-7-9-21-8-6-16-13(21)3/h6,8,10H,4-5,7,9H2,1-3H3,(H,17,22)(H,18,19,20)
InChIKeyXFKFRAKEFMSQDI-UHFFFAOYSA-N
XLogP1.22
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-Imidazol-1-yl-4,6-dimethylpyrimidine
CID 11206064
N-{2-[(4,6-dimethylpyrimidin-2-yl)(methyl)amino]ethyl}-N-ethyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 121427030
N-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl}-3-(1H-pyrazol-1-yl)propanamide
CID 29084238
4-[(4,6-Dimethyl-2-pyrimidinyl)amino]-1-methyl-2-pyrrolidinone
CID 45182021
N,4,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-2-amine
CID 46958595
2,6-dimethyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-propylpyrimidine-4-carboxamide
CID 50983198
1-(1H-imidazol-1-yl)-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}propan-2-amine
CID 56714603
7-acetyl-N~4~-[3-(1H-imidazol-1-yl)propyl]-N~2~,N~2~-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 56876849
7-acetyl-N~2~,N~2~-dimethyl-N~4~-[3-(2-methyl-1H-imidazol-1-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 70776364
1-(4,6-dimethylpyrimidin-2-yl)-N-(1H-imidazol-2-yl)piperidine-4-carboxamide
CID 71708842
1-Tert-butyl-4-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrolidin-2-one
CID 71982265
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]-2,2-dimethylpropanamide
CID 71995901

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide?
The IUPAC name of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide (CID 46981387) is 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide?
The canonical SMILES for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide is Cc1cc(C)nc(NCCC(=O)NCCn2ccnc2C)n1.
What is the InChIKey of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide?
The InChIKey is XFKFRAKEFMSQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-11-10-12(2)20-15(19-11)18-5-4-14(22)17-7-9-21-8-6-16-13(21)3/h6,8,10H,4-5,7,9H2,1-3H3,(H,17,22)(H,18,19,20).
What are the key properties of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide?
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide has a molecular weight of 302.38 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 46981387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).