[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-5-yl]methanamine

C10H12N4 — CID 83530552

IUPAC[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-5-yl]methanamine
SMILESCc1ncnc(-c2cc[nH]c2)c1CN
InChIInChI=1S/C10H12N4/c1-7-9(4-11)10(14-6-13-7)8-2-3-12-5-8/h2-3,5-6,12H,4,11H2,1H3
InChIKeyPDFZDDHYIBXPRH-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.24
Rot. Bonds2

About [4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-5-yl]methanamine

[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-5-yl]methanamine (PubChem CID 83530552) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is [4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-5-yl]methanamine
PubChem CID83530552
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-5-yl]methanamine
SMILESCc1ncnc(-c2cc[nH]c2)c1CN
InChIInChI=1S/C10H12N4/c1-7-9(4-11)10(14-6-13-7)8-2-3-12-5-8/h2-3,5-6,12H,4,11H2,1H3
InChIKeyPDFZDDHYIBXPRH-UHFFFAOYSA-N
XLogP1.24
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-5-yl]methanamine?
The IUPAC name of [4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-5-yl]methanamine (CID 83530552) is [4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-5-yl]methanamine is Cc1ncnc(-c2cc[nH]c2)c1CN.
What is the InChIKey of [4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-5-yl]methanamine?
The InChIKey is PDFZDDHYIBXPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-7-9(4-11)10(14-6-13-7)8-2-3-12-5-8/h2-3,5-6,12H,4,11H2,1H3.
What are the key properties of [4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-5-yl]methanamine?
[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-5-yl]methanamine has a molecular weight of 188.23 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 83530552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).