2-chloro-6-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine

C10H12ClN5 — CID 63294630

IUPAC2-chloro-6-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCc1cc(NCc2nccn2C)nc(Cl)n1
InChIInChI=1S/C10H12ClN5/c1-7-5-8(15-10(11)14-7)13-6-9-12-3-4-16(9)2/h3-5H,6H2,1-2H3,(H,13,14,15)
InChIKeyHULRAAOTMRZCKS-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.78
Rot. Bonds3

About 2-chloro-6-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine

2-chloro-6-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 63294630) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID63294630
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name2-chloro-6-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCc1cc(NCc2nccn2C)nc(Cl)n1
InChIInChI=1S/C10H12ClN5/c1-7-5-8(15-10(11)14-7)13-6-9-12-3-4-16(9)2/h3-5H,6H2,1-2H3,(H,13,14,15)
InChIKeyHULRAAOTMRZCKS-UHFFFAOYSA-N
XLogP1.78
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine (CID 63294630) is 2-chloro-6-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine is Cc1cc(NCc2nccn2C)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is HULRAAOTMRZCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-7-5-8(15-10(11)14-7)13-6-9-12-3-4-16(9)2/h3-5H,6H2,1-2H3,(H,13,14,15).
What are the key properties of 2-chloro-6-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
2-chloro-6-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 237.69 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 63294630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).