2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine

C9H13N3 — CID 130494271

IUPAC2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine
SMILESCc1cnc(CC2CC2)nc1N
InChIInChI=1S/C9H13N3/c1-6-5-11-8(12-9(6)10)4-7-2-3-7/h5,7H,2-4H2,1H3,(H2,10,11,12)
InChIKeyFVHBOIPUYDSFRD-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.32
Rot. Bonds2

About 2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine

2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine (PubChem CID 130494271) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine
PubChem CID130494271
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine
SMILESCc1cnc(CC2CC2)nc1N
InChIInChI=1S/C9H13N3/c1-6-5-11-8(12-9(6)10)4-7-2-3-7/h5,7H,2-4H2,1H3,(H2,10,11,12)
InChIKeyFVHBOIPUYDSFRD-UHFFFAOYSA-N
XLogP1.32
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dimethyl-2-[[4-[(4-methylphenyl)methyl]cyclohexyl]methyl]pyrimidine
CID 122534337
2-(cyclopentylmethyl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 157417195
2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-amine
CID 130494265
5-methyl-2-(2-phenylethyl)pyrimidin-4-amine
CID 11608193
5-bromo-2-(cyclopropylmethyl)pyrimidine
CID 58368900
4-amino-2-(cyclopropylmethyl)-6-methylpyrimidine-5-carboxylic acid
CID 116647476
CID 87072873
CID 87072873
5-methyl-2-(3-methylcyclopentyl)pyrimidin-4-amine
CID 130494284
2-(cyclopentylmethyl)pyrimidin-4-amine
CID 70097820
3-(cyclopropylmethyl)pyridine-2,5-diamine
CID 69462247
4-(pyrimidin-2-ylmethyl)cyclohexan-1-amine
CID 58432562
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 83261268

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine (CID 130494271) is 2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine is Cc1cnc(CC2CC2)nc1N.
What is the InChIKey of 2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine?
The InChIKey is FVHBOIPUYDSFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-6-5-11-8(12-9(6)10)4-7-2-3-7/h5,7H,2-4H2,1H3,(H2,10,11,12).
What are the key properties of 2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine?
2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine has a molecular weight of 163.22 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 130494271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).