2-chloro-6-methyl-1,4-dihydropyrimidin-4-amine

C5H8ClN3 — CID 53485137

IUPAC2-chloro-6-methyl-1,4-dihydropyrimidin-4-amine
SMILESCC1=CC(N)N=C(Cl)N1
InChIInChI=1S/C5H8ClN3/c1-3-2-4(7)9-5(6)8-3/h2,4H,7H2,1H3,(H,8,9)
InChIKeyCTLFMKQLADXDGX-UHFFFAOYSA-N
MW145.59 g/mol
LogP0.37
Rot. Bonds

About 2-chloro-6-methyl-1,4-dihydropyrimidin-4-amine

2-chloro-6-methyl-1,4-dihydropyrimidin-4-amine (PubChem CID 53485137) has the molecular formula C5H8ClN3 and a molecular weight of 145.59 g/mol. Its IUPAC name is 2-chloro-6-methyl-1,4-dihydropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methyl-1,4-dihydropyrimidin-4-amine
PubChem CID53485137
Molecular FormulaC5H8ClN3
Molecular Weight145.59 g/mol
Exact Mass145.04
IUPAC Name2-chloro-6-methyl-1,4-dihydropyrimidin-4-amine
SMILESCC1=CC(N)N=C(Cl)N1
InChIInChI=1S/C5H8ClN3/c1-3-2-4(7)9-5(6)8-3/h2,4H,7H2,1H3,(H,8,9)
InChIKeyCTLFMKQLADXDGX-UHFFFAOYSA-N
XLogP0.37
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.59
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-1,4-dihydropyrimidin-4-amine?
The IUPAC name of 2-chloro-6-methyl-1,4-dihydropyrimidin-4-amine (CID 53485137) is 2-chloro-6-methyl-1,4-dihydropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-methyl-1,4-dihydropyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-methyl-1,4-dihydropyrimidin-4-amine is CC1=CC(N)N=C(Cl)N1.
What is the InChIKey of 2-chloro-6-methyl-1,4-dihydropyrimidin-4-amine?
The InChIKey is CTLFMKQLADXDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN3/c1-3-2-4(7)9-5(6)8-3/h2,4H,7H2,1H3,(H,8,9).
What are the key properties of 2-chloro-6-methyl-1,4-dihydropyrimidin-4-amine?
2-chloro-6-methyl-1,4-dihydropyrimidin-4-amine has a molecular weight of 145.59 g/mol, XLogP of 0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-1,4-dihydropyrimidin-4-amine is sourced from PubChem (CID 53485137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).