4-chloro-6-methyl-5-prop-2-enylpyrimidin-2-amine

C8H10ClN3 — CID 3154200

IUPAC4-chloro-6-methyl-5-prop-2-enylpyrimidin-2-amine
SMILESC=CCc1c(C)nc(N)nc1Cl
InChIInChI=1S/C8H10ClN3/c1-3-4-6-5(2)11-8(10)12-7(6)9/h3H,1,4H2,2H3,(H2,10,11,12)
InChIKeyYNTBOVDPQBPDRF-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.75
Rot. Bonds2

About 4-chloro-6-methyl-5-prop-2-enylpyrimidin-2-amine

4-chloro-6-methyl-5-prop-2-enylpyrimidin-2-amine (PubChem CID 3154200) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is 4-chloro-6-methyl-5-prop-2-enylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methyl-5-prop-2-enylpyrimidin-2-amine
PubChem CID3154200
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC Name4-chloro-6-methyl-5-prop-2-enylpyrimidin-2-amine
SMILESC=CCc1c(C)nc(N)nc1Cl
InChIInChI=1S/C8H10ClN3/c1-3-4-6-5(2)11-8(10)12-7(6)9/h3H,1,4H2,2H3,(H2,10,11,12)
InChIKeyYNTBOVDPQBPDRF-UHFFFAOYSA-N
XLogP1.75
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-5-prop-2-enylpyrimidin-2-amine?
The IUPAC name of 4-chloro-6-methyl-5-prop-2-enylpyrimidin-2-amine (CID 3154200) is 4-chloro-6-methyl-5-prop-2-enylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-methyl-5-prop-2-enylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-methyl-5-prop-2-enylpyrimidin-2-amine is C=CCc1c(C)nc(N)nc1Cl.
What is the InChIKey of 4-chloro-6-methyl-5-prop-2-enylpyrimidin-2-amine?
The InChIKey is YNTBOVDPQBPDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3/c1-3-4-6-5(2)11-8(10)12-7(6)9/h3H,1,4H2,2H3,(H2,10,11,12).
What are the key properties of 4-chloro-6-methyl-5-prop-2-enylpyrimidin-2-amine?
4-chloro-6-methyl-5-prop-2-enylpyrimidin-2-amine has a molecular weight of 183.64 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-5-prop-2-enylpyrimidin-2-amine is sourced from PubChem (CID 3154200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).