6-chloro-4-N-(4-propylcyclohexyl)pyrimidine-4,5-diamine

C13H21ClN4 — CID 55143310

IUPAC6-chloro-4-N-(4-propylcyclohexyl)pyrimidine-4,5-diamine
SMILESCCCC1CCC(Nc2ncnc(Cl)c2N)CC1
InChIInChI=1S/C13H21ClN4/c1-2-3-9-4-6-10(7-5-9)18-13-11(15)12(14)16-8-17-13/h8-10H,2-7,15H2,1H3,(H,16,17,18)
InChIKeyUTFJKRHQPKDULQ-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.48
Rot. Bonds4

About 6-chloro-4-N-(4-propylcyclohexyl)pyrimidine-4,5-diamine

6-chloro-4-N-(4-propylcyclohexyl)pyrimidine-4,5-diamine (PubChem CID 55143310) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 6-chloro-4-N-(4-propylcyclohexyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(4-propylcyclohexyl)pyrimidine-4,5-diamine
PubChem CID55143310
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name6-chloro-4-N-(4-propylcyclohexyl)pyrimidine-4,5-diamine
SMILESCCCC1CCC(Nc2ncnc(Cl)c2N)CC1
InChIInChI=1S/C13H21ClN4/c1-2-3-9-4-6-10(7-5-9)18-13-11(15)12(14)16-8-17-13/h8-10H,2-7,15H2,1H3,(H,16,17,18)
InChIKeyUTFJKRHQPKDULQ-UHFFFAOYSA-N
XLogP3.48
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.48
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-(4-propylcyclohexyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-(4-propylcyclohexyl)pyrimidine-4,5-diamine (CID 55143310) is 6-chloro-4-N-(4-propylcyclohexyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-(4-propylcyclohexyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-(4-propylcyclohexyl)pyrimidine-4,5-diamine is CCCC1CCC(Nc2ncnc(Cl)c2N)CC1.
What is the InChIKey of 6-chloro-4-N-(4-propylcyclohexyl)pyrimidine-4,5-diamine?
The InChIKey is UTFJKRHQPKDULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-2-3-9-4-6-10(7-5-9)18-13-11(15)12(14)16-8-17-13/h8-10H,2-7,15H2,1H3,(H,16,17,18).
What are the key properties of 6-chloro-4-N-(4-propylcyclohexyl)pyrimidine-4,5-diamine?
6-chloro-4-N-(4-propylcyclohexyl)pyrimidine-4,5-diamine has a molecular weight of 268.79 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(4-propylcyclohexyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 55143310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).