2,5-dichloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine

C11H15Cl2N3 — CID 79632418

IUPAC2,5-dichloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine
SMILESCC1(C)CCCN(c2nc(Cl)ncc2Cl)C1
InChIInChI=1S/C11H15Cl2N3/c1-11(2)4-3-5-16(7-11)9-8(12)6-14-10(13)15-9/h6H,3-5,7H2,1-2H3
InChIKeyGUATWLKCUJKZEJ-UHFFFAOYSA-N
MW260.17 g/mol
LogP3.41
Rot. Bonds1

About 2,5-dichloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine

2,5-dichloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine (PubChem CID 79632418) has the molecular formula C11H15Cl2N3 and a molecular weight of 260.17 g/mol. Its IUPAC name is 2,5-dichloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine
PubChem CID79632418
Molecular FormulaC11H15Cl2N3
Molecular Weight260.17 g/mol
Exact Mass259.06
IUPAC Name2,5-dichloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine
SMILESCC1(C)CCCN(c2nc(Cl)ncc2Cl)C1
InChIInChI=1S/C11H15Cl2N3/c1-11(2)4-3-5-16(7-11)9-8(12)6-14-10(13)15-9/h6H,3-5,7H2,1-2H3
InChIKeyGUATWLKCUJKZEJ-UHFFFAOYSA-N
XLogP3.41
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine?
The IUPAC name of 2,5-dichloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine (CID 79632418) is 2,5-dichloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 2,5-dichloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 2,5-dichloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine is CC1(C)CCCN(c2nc(Cl)ncc2Cl)C1.
What is the InChIKey of 2,5-dichloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine?
The InChIKey is GUATWLKCUJKZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3/c1-11(2)4-3-5-16(7-11)9-8(12)6-14-10(13)15-9/h6H,3-5,7H2,1-2H3.
What are the key properties of 2,5-dichloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine?
2,5-dichloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine has a molecular weight of 260.17 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 79632418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).