4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-amine

C12H15N5 — CID 68883909

IUPAC4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-amine
SMILESCc1ncc(-c2ccnc(N)n2)n1CC1CC1
InChIInChI=1S/C12H15N5/c1-8-15-6-11(17(8)7-9-2-3-9)10-4-5-14-12(13)16-10/h4-6,9H,2-3,7H2,1H3,(H2,13,14,16)
InChIKeyHBNZVRFGPYCYSD-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.64
Rot. Bonds3

About 4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-amine

4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-amine (PubChem CID 68883909) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-amine
PubChem CID68883909
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-amine
SMILESCc1ncc(-c2ccnc(N)n2)n1CC1CC1
InChIInChI=1S/C12H15N5/c1-8-15-6-11(17(8)7-9-2-3-9)10-4-5-14-12(13)16-10/h4-6,9H,2-3,7H2,1H3,(H2,13,14,16)
InChIKeyHBNZVRFGPYCYSD-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclobutyl-4-[[4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 68882403
1-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]ethanone
CID 68882473
2-[1-(cyclopropylmethyl)-5-methylpyrrol-2-yl]pyridine
CID 130382141
4-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-2-amine
CID 46998124
4-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-amine
CID 62478034
ethyl 5-(2-aminopyrimidin-4-yl)-1-methylpyrrole-3-carboxylate
CID 66678407
3-(2-aminopyrimidin-4-yl)imidazo[1,2-a]pyridin-8-ol
CID 141272886
ethyl 6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine
CID 68975422
4-(1-bromopyrrol-2-yl)pyrimidin-2-amine
CID 151683355
2-(chloromethyl)-3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293421
4-(4-ethoxypiperidin-1-yl)pyrimidin-2-amine
CID 80798046
3-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106137892

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-amine (CID 68883909) is 4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-amine is Cc1ncc(-c2ccnc(N)n2)n1CC1CC1.
What is the InChIKey of 4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-amine?
The InChIKey is HBNZVRFGPYCYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-8-15-6-11(17(8)7-9-2-3-9)10-4-5-14-12(13)16-10/h4-6,9H,2-3,7H2,1H3,(H2,13,14,16).
What are the key properties of 4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-amine?
4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-amine has a molecular weight of 229.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 68883909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).