5-chloro-N-[3-(4-ethylpiperidin-4-yl)propyl]pyrimidin-2-amine

C14H23ClN4 — CID 141172092

IUPAC5-chloro-N-[3-(4-ethylpiperidin-4-yl)propyl]pyrimidin-2-amine
SMILESCCC1(CCCNc2ncc(Cl)cn2)CCNCC1
InChIInChI=1S/C14H23ClN4/c1-2-14(5-8-16-9-6-14)4-3-7-17-13-18-10-12(15)11-19-13/h10-11,16H,2-9H2,1H3,(H,17,18,19)
InChIKeyYPHFBBQVNUTNOW-UHFFFAOYSA-N
MW282.82 g/mol
LogP3.10
Rot. Bonds6

About 5-chloro-N-[3-(4-ethylpiperidin-4-yl)propyl]pyrimidin-2-amine

5-chloro-N-[3-(4-ethylpiperidin-4-yl)propyl]pyrimidin-2-amine (PubChem CID 141172092) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is 5-chloro-N-[3-(4-ethylpiperidin-4-yl)propyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[3-(4-ethylpiperidin-4-yl)propyl]pyrimidin-2-amine
PubChem CID141172092
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC Name5-chloro-N-[3-(4-ethylpiperidin-4-yl)propyl]pyrimidin-2-amine
SMILESCCC1(CCCNc2ncc(Cl)cn2)CCNCC1
InChIInChI=1S/C14H23ClN4/c1-2-14(5-8-16-9-6-14)4-3-7-17-13-18-10-12(15)11-19-13/h10-11,16H,2-9H2,1H3,(H,17,18,19)
InChIKeyYPHFBBQVNUTNOW-UHFFFAOYSA-N
XLogP3.10
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(4-ethylpiperidin-4-yl)propyl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[3-(4-ethylpiperidin-4-yl)propyl]pyrimidin-2-amine (CID 141172092) is 5-chloro-N-[3-(4-ethylpiperidin-4-yl)propyl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[3-(4-ethylpiperidin-4-yl)propyl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[3-(4-ethylpiperidin-4-yl)propyl]pyrimidin-2-amine is CCC1(CCCNc2ncc(Cl)cn2)CCNCC1.
What is the InChIKey of 5-chloro-N-[3-(4-ethylpiperidin-4-yl)propyl]pyrimidin-2-amine?
The InChIKey is YPHFBBQVNUTNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4/c1-2-14(5-8-16-9-6-14)4-3-7-17-13-18-10-12(15)11-19-13/h10-11,16H,2-9H2,1H3,(H,17,18,19).
What are the key properties of 5-chloro-N-[3-(4-ethylpiperidin-4-yl)propyl]pyrimidin-2-amine?
5-chloro-N-[3-(4-ethylpiperidin-4-yl)propyl]pyrimidin-2-amine has a molecular weight of 282.82 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(4-ethylpiperidin-4-yl)propyl]pyrimidin-2-amine is sourced from PubChem (CID 141172092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).