1-[2-(1H-imidazol-2-yl)pyrimidin-4-yl]-N-methylmethanamine

C9H11N5 — CID 130483553

IUPAC1-[2-(1H-imidazol-2-yl)pyrimidin-4-yl]-N-methylmethanamine
SMILESCNCc1ccnc(-c2ncc[nH]2)n1
InChIInChI=1S/C9H11N5/c1-10-6-7-2-3-11-9(14-7)8-12-4-5-13-8/h2-5,10H,6H2,1H3,(H,12,13)
InChIKeyKQRREILQWQHUMT-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.59
Rot. Bonds3

About 1-[2-(1H-imidazol-2-yl)pyrimidin-4-yl]-N-methylmethanamine

1-[2-(1H-imidazol-2-yl)pyrimidin-4-yl]-N-methylmethanamine (PubChem CID 130483553) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 1-[2-(1H-imidazol-2-yl)pyrimidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1H-imidazol-2-yl)pyrimidin-4-yl]-N-methylmethanamine
PubChem CID130483553
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name1-[2-(1H-imidazol-2-yl)pyrimidin-4-yl]-N-methylmethanamine
SMILESCNCc1ccnc(-c2ncc[nH]2)n1
InChIInChI=1S/C9H11N5/c1-10-6-7-2-3-11-9(14-7)8-12-4-5-13-8/h2-5,10H,6H2,1H3,(H,12,13)
InChIKeyKQRREILQWQHUMT-UHFFFAOYSA-N
XLogP0.59
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-imidazol-2-yl)pyrimidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1H-imidazol-2-yl)pyrimidin-4-yl]-N-methylmethanamine (CID 130483553) is 1-[2-(1H-imidazol-2-yl)pyrimidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1H-imidazol-2-yl)pyrimidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1H-imidazol-2-yl)pyrimidin-4-yl]-N-methylmethanamine is CNCc1ccnc(-c2ncc[nH]2)n1.
What is the InChIKey of 1-[2-(1H-imidazol-2-yl)pyrimidin-4-yl]-N-methylmethanamine?
The InChIKey is KQRREILQWQHUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-10-6-7-2-3-11-9(14-7)8-12-4-5-13-8/h2-5,10H,6H2,1H3,(H,12,13).
What are the key properties of 1-[2-(1H-imidazol-2-yl)pyrimidin-4-yl]-N-methylmethanamine?
1-[2-(1H-imidazol-2-yl)pyrimidin-4-yl]-N-methylmethanamine has a molecular weight of 189.22 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-imidazol-2-yl)pyrimidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 130483553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).