2-chloro-N-[3-(3,3-difluoropiperidin-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine

C14H21ClF2N4 — CID 88906610

IUPAC2-chloro-N-[3-(3,3-difluoropiperidin-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)nc(NCCCN2CCCC(F)(F)C2)c1C
InChIInChI=1S/C14H21ClF2N4/c1-10-11(2)19-13(15)20-12(10)18-6-4-8-21-7-3-5-14(16,17)9-21/h3-9H2,1-2H3,(H,18,19,20)
InChIKeyUUFHGIDVUZSZNH-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.28
Rot. Bonds5

About 2-chloro-N-[3-(3,3-difluoropiperidin-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine

2-chloro-N-[3-(3,3-difluoropiperidin-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine (PubChem CID 88906610) has the molecular formula C14H21ClF2N4 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-chloro-N-[3-(3,3-difluoropiperidin-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[3-(3,3-difluoropiperidin-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine
PubChem CID88906610
Molecular FormulaC14H21ClF2N4
Molecular Weight318.80 g/mol
Exact Mass318.14
IUPAC Name2-chloro-N-[3-(3,3-difluoropiperidin-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)nc(NCCCN2CCCC(F)(F)C2)c1C
InChIInChI=1S/C14H21ClF2N4/c1-10-11(2)19-13(15)20-12(10)18-6-4-8-21-7-3-5-14(16,17)9-21/h3-9H2,1-2H3,(H,18,19,20)
InChIKeyUUFHGIDVUZSZNH-UHFFFAOYSA-N
XLogP3.28
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.28
H-Bond Donors ≤ 51
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 2-chloro-N-[3-(3,3-difluoropiperidin-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[3-(3,3-difluoropiperidin-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine (CID 88906610) is 2-chloro-N-[3-(3,3-difluoropiperidin-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[3-(3,3-difluoropiperidin-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[3-(3,3-difluoropiperidin-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine is Cc1nc(Cl)nc(NCCCN2CCCC(F)(F)C2)c1C.
What is the InChIKey of 2-chloro-N-[3-(3,3-difluoropiperidin-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine?
The InChIKey is UUFHGIDVUZSZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClF2N4/c1-10-11(2)19-13(15)20-12(10)18-6-4-8-21-7-3-5-14(16,17)9-21/h3-9H2,1-2H3,(H,18,19,20).
What are the key properties of 2-chloro-N-[3-(3,3-difluoropiperidin-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine?
2-chloro-N-[3-(3,3-difluoropiperidin-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine has a molecular weight of 318.80 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(3,3-difluoropiperidin-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 88906610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).