[2,4-bis(aminomethyl)pyrimidin-5-yl]methanamine

C7H13N5 — CID 150048072

IUPAC[2,4-bis(aminomethyl)pyrimidin-5-yl]methanamine
SMILESNCc1ncc(CN)c(CN)n1
InChIInChI=1S/C7H13N5/c8-1-5-4-11-7(3-10)12-6(5)2-9/h4H,1-3,8-10H2
InChIKeyDKSBZMXESTXQOQ-UHFFFAOYSA-N
MW167.22 g/mol
LogP-1.15
Rot. Bonds3

About [2,4-bis(aminomethyl)pyrimidin-5-yl]methanamine

[2,4-bis(aminomethyl)pyrimidin-5-yl]methanamine (PubChem CID 150048072) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is [2,4-bis(aminomethyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2,4-bis(aminomethyl)pyrimidin-5-yl]methanamine
PubChem CID150048072
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name[2,4-bis(aminomethyl)pyrimidin-5-yl]methanamine
SMILESNCc1ncc(CN)c(CN)n1
InChIInChI=1S/C7H13N5/c8-1-5-4-11-7(3-10)12-6(5)2-9/h4H,1-3,8-10H2
InChIKeyDKSBZMXESTXQOQ-UHFFFAOYSA-N
XLogP-1.15
TPSA103.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2,4-bis(aminomethyl)pyrimidin-5-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]methanamine
CID 114206012
[4-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methanamine
CID 114206046
[2-chloro-4-(2,2-dimethylpropyl)pyrimidin-5-yl]methanamine
CID 174471022
5-(aminomethyl)-2-ethylpyrimidin-4-amine;hydrochloride
CID 133062849
5-(aminomethyl)-2-[(dimethylamino)methyl]pyrimidin-4-amine
CID 79085948
[2-ethyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
CID 82506813
2,4,5-tris(fluoromethyl)pyrimidine
CID 172695350
5,6,7,8-tetrahydroquinazolin-2-ylmethanamine
CID 55265501
[5-(chloromethyl)-2-methylsulfanylpyrimidin-4-yl]methanamine;hydrochloride
CID 68701908
thieno[3,2-d]pyrimidin-2-ylmethanamine
CID 82414555
5-(aminomethyl)-2-(3-methoxypropyl)pyrimidin-4-amine
CID 65093955
(1-methylisoquinolin-4-yl)methanamine
CID 105435219

Frequently Asked Questions

What is the IUPAC name of [2,4-bis(aminomethyl)pyrimidin-5-yl]methanamine?
The IUPAC name of [2,4-bis(aminomethyl)pyrimidin-5-yl]methanamine (CID 150048072) is [2,4-bis(aminomethyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2,4-bis(aminomethyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [2,4-bis(aminomethyl)pyrimidin-5-yl]methanamine is NCc1ncc(CN)c(CN)n1.
What is the InChIKey of [2,4-bis(aminomethyl)pyrimidin-5-yl]methanamine?
The InChIKey is DKSBZMXESTXQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c8-1-5-4-11-7(3-10)12-6(5)2-9/h4H,1-3,8-10H2.
What are the key properties of [2,4-bis(aminomethyl)pyrimidin-5-yl]methanamine?
[2,4-bis(aminomethyl)pyrimidin-5-yl]methanamine has a molecular weight of 167.22 g/mol, XLogP of -1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(aminomethyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 150048072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).