5-chloro-4-(2-ethylazepan-1-yl)-N-propylpyrimidin-2-amine

C15H25ClN4 — CID 104692996

IUPAC5-chloro-4-(2-ethylazepan-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(N2CCCCCC2CC)n1
InChIInChI=1S/C15H25ClN4/c1-3-9-17-15-18-11-13(16)14(19-15)20-10-7-5-6-8-12(20)4-2/h11-12H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyQRRZUDNPKWHJIT-UHFFFAOYSA-N
MW296.85 g/mol
LogP4.11
Rot. Bonds5

About 5-chloro-4-(2-ethylazepan-1-yl)-N-propylpyrimidin-2-amine

5-chloro-4-(2-ethylazepan-1-yl)-N-propylpyrimidin-2-amine (PubChem CID 104692996) has the molecular formula C15H25ClN4 and a molecular weight of 296.85 g/mol. Its IUPAC name is 5-chloro-4-(2-ethylazepan-1-yl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(2-ethylazepan-1-yl)-N-propylpyrimidin-2-amine
PubChem CID104692996
Molecular FormulaC15H25ClN4
Molecular Weight296.85 g/mol
Exact Mass296.18
IUPAC Name5-chloro-4-(2-ethylazepan-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(N2CCCCCC2CC)n1
InChIInChI=1S/C15H25ClN4/c1-3-9-17-15-18-11-13(16)14(19-15)20-10-7-5-6-8-12(20)4-2/h11-12H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyQRRZUDNPKWHJIT-UHFFFAOYSA-N
XLogP4.11
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80797010
5-chloro-N-ethyl-4-(2-ethylazepan-1-yl)pyrimidin-2-amine
CID 104693085
5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764211
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide
CID 80784866
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 80765390
5-chloro-4-(3-ethyl-4-methylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 80833787
5-fluoro-4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80836408
5-methyl-4-(2-methylpiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80767020
5-chloro-4-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80797839
5-chloro-4-(4-propan-2-ylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80823869
4-(2-ethylpyrrolidin-1-yl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103325400
1-[1-(5-chloro-2-hydrazinylpyrimidin-4-yl)azepan-2-yl]propan-2-ol
CID 112748846

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-ethylazepan-1-yl)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(2-ethylazepan-1-yl)-N-propylpyrimidin-2-amine (CID 104692996) is 5-chloro-4-(2-ethylazepan-1-yl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(2-ethylazepan-1-yl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(2-ethylazepan-1-yl)-N-propylpyrimidin-2-amine is CCCNc1ncc(Cl)c(N2CCCCCC2CC)n1.
What is the InChIKey of 5-chloro-4-(2-ethylazepan-1-yl)-N-propylpyrimidin-2-amine?
The InChIKey is QRRZUDNPKWHJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4/c1-3-9-17-15-18-11-13(16)14(19-15)20-10-7-5-6-8-12(20)4-2/h11-12H,3-10H2,1-2H3,(H,17,18,19).
What are the key properties of 5-chloro-4-(2-ethylazepan-1-yl)-N-propylpyrimidin-2-amine?
5-chloro-4-(2-ethylazepan-1-yl)-N-propylpyrimidin-2-amine has a molecular weight of 296.85 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-ethylazepan-1-yl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 104692996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).