5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine

C14H23ClN4 — CID 80772251

IUPAC5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(NC2CCCCCC2)n1
InChIInChI=1S/C14H23ClN4/c1-2-9-16-14-17-10-12(15)13(19-14)18-11-7-5-3-4-6-8-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19)
InChIKeySAHXSJJYKFPGJG-UHFFFAOYSA-N
MW282.82 g/mol
LogP4.09
Rot. Bonds5

About 5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine

5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80772251) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is 5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID80772251
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC Name5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(NC2CCCCCC2)n1
InChIInChI=1S/C14H23ClN4/c1-2-9-16-14-17-10-12(15)13(19-14)18-11-7-5-3-4-6-8-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19)
InChIKeySAHXSJJYKFPGJG-UHFFFAOYSA-N
XLogP4.09
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80827247
5-chloro-4-N-(3,4-dimethylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
CID 80841109
5-chloro-4-N-(1-methylpyrrolidin-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80804147
[2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 106368316
5-bromo-4-N-cyclobutyl-2-N-propylpyrimidine-2,4-diamine
CID 80826452
5-chloro-4-N-(3-ethylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80841619
5-chloro-2-N-ethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 80784211
5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565369
5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80822321
5-chloro-4-N-(1,3-dimethylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine
CID 114506528
5-chloro-4-N-(3,5-dimethylcyclohexyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80841105
4-N-(4,4-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80837855

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine (CID 80772251) is 5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(Cl)c(NC2CCCCCC2)n1.
What is the InChIKey of 5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is SAHXSJJYKFPGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4/c1-2-9-16-14-17-10-12(15)13(19-14)18-11-7-5-3-4-6-8-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19).
What are the key properties of 5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine?
5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 282.82 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80772251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).