5-(aminomethyl)-2-ethylpyrimidin-4-amine;hydrochloride

C7H13ClN4 — CID 133062849

IUPAC5-(aminomethyl)-2-ethylpyrimidin-4-amine;hydrochloride
SMILESCCc1ncc(CN)c(N)n1.Cl
InChIInChI=1S/C7H12N4.ClH/c1-2-6-10-4-5(3-8)7(9)11-6;/h4H,2-3,8H2,1H3,(H2,9,10,11);1H
InChIKeyXEWWQKKPTOHSGV-UHFFFAOYSA-N
MW188.66 g/mol
LogP0.50
Rot. Bonds2

About 5-(aminomethyl)-2-ethylpyrimidin-4-amine;hydrochloride

5-(aminomethyl)-2-ethylpyrimidin-4-amine;hydrochloride (PubChem CID 133062849) has the molecular formula C7H13ClN4 and a molecular weight of 188.66 g/mol. Its IUPAC name is 5-(aminomethyl)-2-ethylpyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-2-ethylpyrimidin-4-amine;hydrochloride
PubChem CID133062849
Molecular FormulaC7H13ClN4
Molecular Weight188.66 g/mol
Exact Mass188.08
IUPAC Name5-(aminomethyl)-2-ethylpyrimidin-4-amine;hydrochloride
SMILESCCc1ncc(CN)c(N)n1.Cl
InChIInChI=1S/C7H12N4.ClH/c1-2-6-10-4-5(3-8)7(9)11-6;/h4H,2-3,8H2,1H3,(H2,9,10,11);1H
InChIKeyXEWWQKKPTOHSGV-UHFFFAOYSA-N
XLogP0.50
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(aminomethyl)-2-ethylpyrimidin-4-amine;hydrochloride 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

5-(chloromethyl)-2-ethylpyrimidin-4-amine
CID 118060527
5-(aminomethyl)-2-[(dimethylamino)methyl]pyrimidin-4-amine
CID 79085948
[2-ethyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
CID 82506813
5-(aminomethyl)-2-(3-methoxypropyl)pyrimidin-4-amine
CID 65093955
2-ethyl-5-phenylpyrimidin-4-amine
CID 62900948
5-ethyl-2-methylpyrimidin-4-amine
CID 22978191
2-ethyl-5-[[5-(2-fluoroethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]pyrimidin-4-amine chloride
CID 71609331
ethane;2-ethyl-4-methylpyrimidin-5-amine
CID 142845626
2-ethyl-5-(2-methylphenyl)pyrimidin-4-amine
CID 62900182
2,5-bis(2-chloroethyl)pyrimidin-4-amine
CID 123359633
[2,4-bis(aminomethyl)pyrimidin-5-yl]methanamine
CID 150048072
5-(2-chlorophenyl)-2-ethylpyrimidin-4-amine
CID 62899049

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-ethylpyrimidin-4-amine;hydrochloride?
The IUPAC name of 5-(aminomethyl)-2-ethylpyrimidin-4-amine;hydrochloride (CID 133062849) is 5-(aminomethyl)-2-ethylpyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 5-(aminomethyl)-2-ethylpyrimidin-4-amine;hydrochloride?
The canonical SMILES for 5-(aminomethyl)-2-ethylpyrimidin-4-amine;hydrochloride is CCc1ncc(CN)c(N)n1.Cl.
What is the InChIKey of 5-(aminomethyl)-2-ethylpyrimidin-4-amine;hydrochloride?
The InChIKey is XEWWQKKPTOHSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4.ClH/c1-2-6-10-4-5(3-8)7(9)11-6;/h4H,2-3,8H2,1H3,(H2,9,10,11);1H.
What are the key properties of 5-(aminomethyl)-2-ethylpyrimidin-4-amine;hydrochloride?
5-(aminomethyl)-2-ethylpyrimidin-4-amine;hydrochloride has a molecular weight of 188.66 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-ethylpyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 133062849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).