4-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine

C16H24N6 — CID 95131117

IUPAC4-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCCc1cc(N[C@@H](c2nccn2C)C2CC2)nc(N(C)C)n1
InChIInChI=1S/C16H24N6/c1-5-12-10-13(20-16(18-12)21(2)3)19-14(11-6-7-11)15-17-8-9-22(15)4/h8-11,14H,5-7H2,1-4H3,(H,18,19,20)/t14-/m1/s1
InChIKeyQOQJHGMGIGSYDO-CQSZACIVSA-N
MW300.41 g/mol
LogP2.40
Rot. Bonds6

About 4-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine

4-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine (PubChem CID 95131117) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine
PubChem CID95131117
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name4-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCCc1cc(N[C@@H](c2nccn2C)C2CC2)nc(N(C)C)n1
InChIInChI=1S/C16H24N6/c1-5-12-10-13(20-16(18-12)21(2)3)19-14(11-6-7-11)15-17-8-9-22(15)4/h8-11,14H,5-7H2,1-4H3,(H,18,19,20)/t14-/m1/s1
InChIKeyQOQJHGMGIGSYDO-CQSZACIVSA-N
XLogP2.40
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine with MolForge

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Related Compounds

N-[cyclooctyl-(1-methylimidazol-2-yl)methyl]ethanamine
CID 80603968
N-[(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 65395611
N-[cycloheptyl-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 65399979
6-ethyl-5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine
CID 129483153
2-[2-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70730144
4-methoxy-6-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine
CID 154736623
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide
CID 125444734
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide
CID 122565816
3-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 122568205
1-(4-chloro-2-ethylphenyl)-3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea
CID 126450388
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-[4-(dimethylamino)pyrimidin-2-yl]benzamide
CID 122570319
4-N-(1-cyclopropylpropan-2-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64830676

Frequently Asked Questions

What is the IUPAC name of 4-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine (CID 95131117) is 4-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine is CCc1cc(N[C@@H](c2nccn2C)C2CC2)nc(N(C)C)n1.
What is the InChIKey of 4-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is QOQJHGMGIGSYDO-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N6/c1-5-12-10-13(20-16(18-12)21(2)3)19-14(11-6-7-11)15-17-8-9-22(15)4/h8-11,14H,5-7H2,1-4H3,(H,18,19,20)/t14-/m1/s1.
What are the key properties of 4-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine?
4-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 300.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 95131117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).