2-chloro-6-N-methyl-1H-pyrimidine-2,6-diamine

C5H9ClN4 — CID 118559800

IUPAC2-chloro-6-N-methyl-1H-pyrimidine-2,6-diamine
SMILESCNC1=CC=NC(N)(Cl)N1
InChIInChI=1S/C5H9ClN4/c1-8-4-2-3-9-5(6,7)10-4/h2-3,8,10H,7H2,1H3
InChIKeyIZFUKYADVQUOJN-UHFFFAOYSA-N
MW160.61 g/mol
LogP-0.47
Rot. Bonds1

About 2-chloro-6-N-methyl-1H-pyrimidine-2,6-diamine

2-chloro-6-N-methyl-1H-pyrimidine-2,6-diamine (PubChem CID 118559800) has the molecular formula C5H9ClN4 and a molecular weight of 160.61 g/mol. Its IUPAC name is 2-chloro-6-N-methyl-1H-pyrimidine-2,6-diamine.

Molecular Properties

Compound Name2-chloro-6-N-methyl-1H-pyrimidine-2,6-diamine
PubChem CID118559800
Molecular FormulaC5H9ClN4
Molecular Weight160.61 g/mol
Exact Mass160.05
IUPAC Name2-chloro-6-N-methyl-1H-pyrimidine-2,6-diamine
SMILESCNC1=CC=NC(N)(Cl)N1
InChIInChI=1S/C5H9ClN4/c1-8-4-2-3-9-5(6,7)10-4/h2-3,8,10H,7H2,1H3
InChIKeyIZFUKYADVQUOJN-UHFFFAOYSA-N
XLogP-0.47
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.61
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-N-methyl-1H-pyrimidine-2,6-diamine?
The IUPAC name of 2-chloro-6-N-methyl-1H-pyrimidine-2,6-diamine (CID 118559800) is 2-chloro-6-N-methyl-1H-pyrimidine-2,6-diamine.
What is the SMILES notation for 2-chloro-6-N-methyl-1H-pyrimidine-2,6-diamine?
The canonical SMILES for 2-chloro-6-N-methyl-1H-pyrimidine-2,6-diamine is CNC1=CC=NC(N)(Cl)N1.
What is the InChIKey of 2-chloro-6-N-methyl-1H-pyrimidine-2,6-diamine?
The InChIKey is IZFUKYADVQUOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClN4/c1-8-4-2-3-9-5(6,7)10-4/h2-3,8,10H,7H2,1H3.
What are the key properties of 2-chloro-6-N-methyl-1H-pyrimidine-2,6-diamine?
2-chloro-6-N-methyl-1H-pyrimidine-2,6-diamine has a molecular weight of 160.61 g/mol, XLogP of -0.47, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-N-methyl-1H-pyrimidine-2,6-diamine is sourced from PubChem (CID 118559800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).