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

C14H23ClN4 — CID 104693085

IUPAC5-chloro-N-ethyl-4-(2-ethylazepan-1-yl)pyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(N2CCCCCC2CC)n1
InChIInChI=1S/C14H23ClN4/c1-3-11-8-6-5-7-9-19(11)13-12(15)10-17-14(18-13)16-4-2/h10-11H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyLOANUDJYCSECPN-UHFFFAOYSA-N
MW282.82 g/mol
LogP3.72
Rot. Bonds4

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

5-chloro-N-ethyl-4-(2-ethylazepan-1-yl)pyrimidin-2-amine (PubChem CID 104693085) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is 5-chloro-N-ethyl-4-(2-ethylazepan-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-4-(2-ethylazepan-1-yl)pyrimidin-2-amine
PubChem CID104693085
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC Name5-chloro-N-ethyl-4-(2-ethylazepan-1-yl)pyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(N2CCCCCC2CC)n1
InChIInChI=1S/C14H23ClN4/c1-3-11-8-6-5-7-9-19(11)13-12(15)10-17-14(18-13)16-4-2/h10-11H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyLOANUDJYCSECPN-UHFFFAOYSA-N
XLogP3.72
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(2-ethylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 104692996
5-chloro-4-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80797010
[1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]azepan-2-yl]methanol
CID 116640745
N-ethyl-4-(2-ethylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 104693017
1-[1-(5-chloro-2-hydrazinylpyrimidin-4-yl)azepan-2-yl]propan-2-ol
CID 112748846
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-ethyl-5-methylpyrimidin-2-amine
CID 80825001
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide
CID 80784866
[5-chloro-6-(2-ethylazepan-1-yl)-3-pyridinyl]methanol
CID 104691283
4-[5-chloro-2-(ethylamino)pyrimidin-4-yl]-3-ethylpiperazine-2,6-dione
CID 80851228
5-chloro-N-ethyl-4-piperazin-1-ylpyrimidin-2-amine
CID 80836911
5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764211
N-ethyl-6-(2-ethylazepan-1-yl)-2,5-dimethylpyrimidin-4-amine
CID 104693040

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-4-(2-ethylazepan-1-yl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-4-(2-ethylazepan-1-yl)pyrimidin-2-amine (CID 104693085) is 5-chloro-N-ethyl-4-(2-ethylazepan-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-4-(2-ethylazepan-1-yl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-4-(2-ethylazepan-1-yl)pyrimidin-2-amine is CCNc1ncc(Cl)c(N2CCCCCC2CC)n1.
What is the InChIKey of 5-chloro-N-ethyl-4-(2-ethylazepan-1-yl)pyrimidin-2-amine?
The InChIKey is LOANUDJYCSECPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4/c1-3-11-8-6-5-7-9-19(11)13-12(15)10-17-14(18-13)16-4-2/h10-11H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of 5-chloro-N-ethyl-4-(2-ethylazepan-1-yl)pyrimidin-2-amine?
5-chloro-N-ethyl-4-(2-ethylazepan-1-yl)pyrimidin-2-amine has a molecular weight of 282.82 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-4-(2-ethylazepan-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 104693085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).