2-cyclopropyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine

C12H15N5 — CID 80952718

IUPAC2-cyclopropyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCn1ccnc1Cc1cc(N)nc(C2CC2)n1
InChIInChI=1S/C12H15N5/c1-17-5-4-14-11(17)7-9-6-10(13)16-12(15-9)8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H2,13,15,16)
InChIKeyDIMCHZAIJUBZQN-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.26
Rot. Bonds3

About 2-cyclopropyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine

2-cyclopropyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 80952718) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-cyclopropyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID80952718
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name2-cyclopropyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCn1ccnc1Cc1cc(N)nc(C2CC2)n1
InChIInChI=1S/C12H15N5/c1-17-5-4-14-11(17)7-9-6-10(13)16-12(15-9)8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H2,13,15,16)
InChIKeyDIMCHZAIJUBZQN-UHFFFAOYSA-N
XLogP1.26
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-6-(2-methylimidazol-1-yl)pyrimidin-4-amine
CID 80966363
6-chloro-2-cyclopropyl-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80971759
2-cyclopentyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62320970
2-cyclobutyl-6-(methoxymethyl)pyrimidin-4-amine
CID 64986047
4-chloro-2-ethyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidine
CID 80935856
3-[5-[(1-methylimidazol-2-yl)methyl]-1H-1,2,4-triazol-3-yl]piperidine
CID 82568432
2-cyclopropyl-6-propoxypyrimidin-4-amine
CID 80965669
2-cyclopropyl-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80955502
6-methyl-2-(4-methylcyclohexyl)pyrimidin-4-amine
CID 62192253
6-ethyl-2-(oxolan-3-yl)pyrimidin-4-amine
CID 62315273
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
2-bromo-6-[(1-methylimidazol-2-yl)methyl]pyridine
CID 79738834

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine (CID 80952718) is 2-cyclopropyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine is Cn1ccnc1Cc1cc(N)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is DIMCHZAIJUBZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-17-5-4-14-11(17)7-9-6-10(13)16-12(15-9)8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H2,13,15,16).
What are the key properties of 2-cyclopropyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
2-cyclopropyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 229.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80952718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).