6-chloro-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-2,4-diamine

C11H17ClN4 — CID 78952257

IUPAC6-chloro-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-2,4-diamine
SMILESCC1(CNc2cc(Cl)nc(N)n2)CCCC1
InChIInChI=1S/C11H17ClN4/c1-11(4-2-3-5-11)7-14-9-6-8(12)15-10(13)16-9/h6H,2-5,7H2,1H3,(H3,13,14,15,16)
InChIKeyAUSOJCFNPQSHLW-UHFFFAOYSA-N
MW240.74 g/mol
LogP2.70
Rot. Bonds3

About 6-chloro-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-2,4-diamine

6-chloro-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-2,4-diamine (PubChem CID 78952257) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 6-chloro-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-2,4-diamine
PubChem CID78952257
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name6-chloro-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-2,4-diamine
SMILESCC1(CNc2cc(Cl)nc(N)n2)CCCC1
InChIInChI=1S/C11H17ClN4/c1-11(4-2-3-5-11)7-14-9-6-8(12)15-10(13)16-9/h6H,2-5,7H2,1H3,(H3,13,14,15,16)
InChIKeyAUSOJCFNPQSHLW-UHFFFAOYSA-N
XLogP2.70
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-2,4-diamine (CID 78952257) is 6-chloro-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-2,4-diamine is CC1(CNc2cc(Cl)nc(N)n2)CCCC1.
What is the InChIKey of 6-chloro-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is AUSOJCFNPQSHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-11(4-2-3-5-11)7-14-9-6-8(12)15-10(13)16-9/h6H,2-5,7H2,1H3,(H3,13,14,15,16).
What are the key properties of 6-chloro-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-2,4-diamine?
6-chloro-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 240.74 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 78952257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).