5-bromo-4-chloro-2-(3-methylpiperidin-1-yl)pyrimidine

C10H13BrClN3 — CID 130053500

IUPAC5-bromo-4-chloro-2-(3-methylpiperidin-1-yl)pyrimidine
SMILESCC1CCCN(c2ncc(Br)c(Cl)n2)C1
InChIInChI=1S/C10H13BrClN3/c1-7-3-2-4-15(6-7)10-13-5-8(11)9(12)14-10/h5,7H,2-4,6H2,1H3
InChIKeyJEHPFNBJKSKYMJ-UHFFFAOYSA-N
MW290.59 g/mol
LogP3.13
Rot. Bonds1

About 5-bromo-4-chloro-2-(3-methylpiperidin-1-yl)pyrimidine

5-bromo-4-chloro-2-(3-methylpiperidin-1-yl)pyrimidine (PubChem CID 130053500) has the molecular formula C10H13BrClN3 and a molecular weight of 290.59 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(3-methylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(3-methylpiperidin-1-yl)pyrimidine
PubChem CID130053500
Molecular FormulaC10H13BrClN3
Molecular Weight290.59 g/mol
Exact Mass289.00
IUPAC Name5-bromo-4-chloro-2-(3-methylpiperidin-1-yl)pyrimidine
SMILESCC1CCCN(c2ncc(Br)c(Cl)n2)C1
InChIInChI=1S/C10H13BrClN3/c1-7-3-2-4-15(6-7)10-13-5-8(11)9(12)14-10/h5,7H,2-4,6H2,1H3
InChIKeyJEHPFNBJKSKYMJ-UHFFFAOYSA-N
XLogP3.13
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-(3-methylpiperidin-1-yl)pyrimidine
CID 89079553
5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidine
CID 126993949
2,5-dichloro-4-(3-methylpiperidin-1-yl)pyrimidine
CID 79633490
2-chloro-6-(3-methylpiperidin-1-yl)pyrazine
CID 53409115
2-(3-methylpiperidin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine
CID 112885128
methanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 156802158
3-bromo-4-(3-methylpiperidin-1-yl)pyridine
CID 104777988
2-(azetidin-1-yl)-5-bromo-4-methylpyrimidine
CID 127017331
8-chloro-3-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 139295704
N-(2-bromophenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960779
5-bromo-2-(3,4-dimethylpiperidin-1-yl)-4-methoxypyrimidine
CID 103878203
5-bromo-2-(3-methylpiperidin-1-yl)pyridin-3-amine
CID 61228660

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(3-methylpiperidin-1-yl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(3-methylpiperidin-1-yl)pyrimidine (CID 130053500) is 5-bromo-4-chloro-2-(3-methylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(3-methylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(3-methylpiperidin-1-yl)pyrimidine is CC1CCCN(c2ncc(Br)c(Cl)n2)C1.
What is the InChIKey of 5-bromo-4-chloro-2-(3-methylpiperidin-1-yl)pyrimidine?
The InChIKey is JEHPFNBJKSKYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN3/c1-7-3-2-4-15(6-7)10-13-5-8(11)9(12)14-10/h5,7H,2-4,6H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-(3-methylpiperidin-1-yl)pyrimidine?
5-bromo-4-chloro-2-(3-methylpiperidin-1-yl)pyrimidine has a molecular weight of 290.59 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(3-methylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 130053500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).