6-chloro-N,2-dimethyl-5-prop-2-enylpyrimidin-4-amine

C9H12ClN3 — CID 3070102

IUPAC6-chloro-N,2-dimethyl-5-prop-2-enylpyrimidin-4-amine
SMILESC=CCc1c(Cl)nc(C)nc1NC
InChIInChI=1S/C9H12ClN3/c1-4-5-7-8(10)12-6(2)13-9(7)11-3/h4H,1,5H2,2-3H3,(H,11,12,13)
InChIKeyMPFXSVYHELXCRV-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.21
Rot. Bonds3

About 6-chloro-N,2-dimethyl-5-prop-2-enylpyrimidin-4-amine

6-chloro-N,2-dimethyl-5-prop-2-enylpyrimidin-4-amine (PubChem CID 3070102) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 6-chloro-N,2-dimethyl-5-prop-2-enylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,2-dimethyl-5-prop-2-enylpyrimidin-4-amine
PubChem CID3070102
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name6-chloro-N,2-dimethyl-5-prop-2-enylpyrimidin-4-amine
SMILESC=CCc1c(Cl)nc(C)nc1NC
InChIInChI=1S/C9H12ClN3/c1-4-5-7-8(10)12-6(2)13-9(7)11-3/h4H,1,5H2,2-3H3,(H,11,12,13)
InChIKeyMPFXSVYHELXCRV-UHFFFAOYSA-N
XLogP2.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-chloro-N,2-dimethyl-5-prop-2-enylpyrimidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,2-dimethyl-5-prop-2-enylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N,2-dimethyl-5-prop-2-enylpyrimidin-4-amine (CID 3070102) is 6-chloro-N,2-dimethyl-5-prop-2-enylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,2-dimethyl-5-prop-2-enylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,2-dimethyl-5-prop-2-enylpyrimidin-4-amine is C=CCc1c(Cl)nc(C)nc1NC.
What is the InChIKey of 6-chloro-N,2-dimethyl-5-prop-2-enylpyrimidin-4-amine?
The InChIKey is MPFXSVYHELXCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-4-5-7-8(10)12-6(2)13-9(7)11-3/h4H,1,5H2,2-3H3,(H,11,12,13).
What are the key properties of 6-chloro-N,2-dimethyl-5-prop-2-enylpyrimidin-4-amine?
6-chloro-N,2-dimethyl-5-prop-2-enylpyrimidin-4-amine has a molecular weight of 197.67 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,2-dimethyl-5-prop-2-enylpyrimidin-4-amine is sourced from PubChem (CID 3070102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).