(3-methyl-4H-pyrimidin-2-yl)methanamine

C6H11N3 — CID 129153246

IUPAC(3-methyl-4H-pyrimidin-2-yl)methanamine
SMILESCN1CC=CN=C1CN
InChIInChI=1S/C6H11N3/c1-9-4-2-3-8-6(9)5-7/h2-3H,4-5,7H2,1H3
InChIKeyKXLJUWDQZZRQGK-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.20
Rot. Bonds1

About (3-methyl-4H-pyrimidin-2-yl)methanamine

(3-methyl-4H-pyrimidin-2-yl)methanamine (PubChem CID 129153246) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is (3-methyl-4H-pyrimidin-2-yl)methanamine.

Molecular Properties

Compound Name(3-methyl-4H-pyrimidin-2-yl)methanamine
PubChem CID129153246
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name(3-methyl-4H-pyrimidin-2-yl)methanamine
SMILESCN1CC=CN=C1CN
InChIInChI=1S/C6H11N3/c1-9-4-2-3-8-6(9)5-7/h2-3H,4-5,7H2,1H3
InChIKeyKXLJUWDQZZRQGK-UHFFFAOYSA-N
XLogP-0.20
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-4H-pyrimidin-2-yl)methanamine?
The IUPAC name of (3-methyl-4H-pyrimidin-2-yl)methanamine (CID 129153246) is (3-methyl-4H-pyrimidin-2-yl)methanamine.
What is the SMILES notation for (3-methyl-4H-pyrimidin-2-yl)methanamine?
The canonical SMILES for (3-methyl-4H-pyrimidin-2-yl)methanamine is CN1CC=CN=C1CN.
What is the InChIKey of (3-methyl-4H-pyrimidin-2-yl)methanamine?
The InChIKey is KXLJUWDQZZRQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-9-4-2-3-8-6(9)5-7/h2-3H,4-5,7H2,1H3.
What are the key properties of (3-methyl-4H-pyrimidin-2-yl)methanamine?
(3-methyl-4H-pyrimidin-2-yl)methanamine has a molecular weight of 125.17 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4H-pyrimidin-2-yl)methanamine is sourced from PubChem (CID 129153246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).