5-bromo-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine

C10H15BrN4 — CID 106996112

IUPAC5-bromo-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine
SMILESCC1CC(Nc2ncc(Br)cn2)CCN1
InChIInChI=1S/C10H15BrN4/c1-7-4-9(2-3-12-7)15-10-13-5-8(11)6-14-10/h5-7,9,12H,2-4H2,1H3,(H,13,14,15)
InChIKeyDRAPITTYGZWOHT-UHFFFAOYSA-N
MW271.16 g/mol
LogP1.79
Rot. Bonds2

About 5-bromo-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine

5-bromo-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine (PubChem CID 106996112) has the molecular formula C10H15BrN4 and a molecular weight of 271.16 g/mol. Its IUPAC name is 5-bromo-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine
PubChem CID106996112
Molecular FormulaC10H15BrN4
Molecular Weight271.16 g/mol
Exact Mass270.05
IUPAC Name5-bromo-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine
SMILESCC1CC(Nc2ncc(Br)cn2)CCN1
InChIInChI=1S/C10H15BrN4/c1-7-4-9(2-3-12-7)15-10-13-5-8(11)6-14-10/h5-7,9,12H,2-4H2,1H3,(H,13,14,15)
InChIKeyDRAPITTYGZWOHT-UHFFFAOYSA-N
XLogP1.79
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(3-methylcyclobutyl)pyrimidin-2-amine
CID 115671858
5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 63872650
5-bromo-N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106996016
N-(2-methylpiperidin-4-yl)pyrazin-2-amine
CID 106995922
5-bromo-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine
CID 103704815
2-[(2-methylpiperidin-4-yl)amino]spiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one;hydrochloride
CID 175693607
5-chloro-N-(2-methylpiperidin-4-yl)pyrimidin-4-amine
CID 106996173
N-(2-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 106996268
5-bromo-N-[(2R,6R)-2,6-dimethylcyclohexyl]pyrimidin-2-amine
CID 95972202
5-bromo-N-(4-propylcyclohexyl)pyrimidin-2-amine
CID 63874176
4-ethoxy-6-methyl-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine
CID 106996136
cis-(1S,3R)-3-[(5-bromopyrimidin-2-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 95770562

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine (CID 106996112) is 5-bromo-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine is CC1CC(Nc2ncc(Br)cn2)CCN1.
What is the InChIKey of 5-bromo-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine?
The InChIKey is DRAPITTYGZWOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4/c1-7-4-9(2-3-12-7)15-10-13-5-8(11)6-14-10/h5-7,9,12H,2-4H2,1H3,(H,13,14,15).
What are the key properties of 5-bromo-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine?
5-bromo-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine has a molecular weight of 271.16 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 106996112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).