5-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine

C11H11ClN4 — CID 10752197

IUPAC5-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
SMILESNc1ncc(Cc2ccccc2Cl)c(N)n1
InChIInChI=1S/C11H11ClN4/c12-9-4-2-1-3-7(9)5-8-6-15-11(14)16-10(8)13/h1-4,6H,5H2,(H4,13,14,15,16)
InChIKeySAIIUKTXZZMVHR-UHFFFAOYSA-N
MW234.69 g/mol
LogP1.89
Rot. Bonds2

About 5-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine

5-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 10752197) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
PubChem CID10752197
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name5-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
SMILESNc1ncc(Cc2ccccc2Cl)c(N)n1
InChIInChI=1S/C11H11ClN4/c12-9-4-2-1-3-7(9)5-8-6-15-11(14)16-10(8)13/h1-4,6H,5H2,(H4,13,14,15,16)
InChIKeySAIIUKTXZZMVHR-UHFFFAOYSA-N
XLogP1.89
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine (CID 10752197) is 5-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine is Nc1ncc(Cc2ccccc2Cl)c(N)n1.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is SAIIUKTXZZMVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c12-9-4-2-1-3-7(9)5-8-6-15-11(14)16-10(8)13/h1-4,6H,5H2,(H4,13,14,15,16).
What are the key properties of 5-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine?
5-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 234.69 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 10752197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).