6-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine

C12H19BrN4 — CID 107164897

IUPAC6-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine
SMILESCN1CCC(C)(CNc2cc(Br)ncn2)CC1
InChIInChI=1S/C12H19BrN4/c1-12(3-5-17(2)6-4-12)8-14-11-7-10(13)15-9-16-11/h7,9H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyOXJYDZYTPYTMCF-UHFFFAOYSA-N
MW299.22 g/mol
LogP2.38
Rot. Bonds3

About 6-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine

6-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine (PubChem CID 107164897) has the molecular formula C12H19BrN4 and a molecular weight of 299.22 g/mol. Its IUPAC name is 6-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine
PubChem CID107164897
Molecular FormulaC12H19BrN4
Molecular Weight299.22 g/mol
Exact Mass298.08
IUPAC Name6-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine
SMILESCN1CCC(C)(CNc2cc(Br)ncn2)CC1
InChIInChI=1S/C12H19BrN4/c1-12(3-5-17(2)6-4-12)8-14-11-7-10(13)15-9-16-11/h7,9H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyOXJYDZYTPYTMCF-UHFFFAOYSA-N
XLogP2.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-propylpyrimidin-4-amine
CID 107164291
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 103989953
6-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 63830485
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 107164406
6-ethoxy-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine
CID 104917819
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 103989884
6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid
CID 107164229
N-[(1,4-dimethylpiperidin-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 107164463
6-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 107165478
5-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 102975963
2-chloro-6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-4-carboxylic acid
CID 107164219
4,5-dichloro-2-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzene-1,2-diamine
CID 107163015

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine (CID 107164897) is 6-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine is CN1CCC(C)(CNc2cc(Br)ncn2)CC1.
What is the InChIKey of 6-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is OXJYDZYTPYTMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4/c1-12(3-5-17(2)6-4-12)8-14-11-7-10(13)15-9-16-11/h7,9H,3-6,8H2,1-2H3,(H,14,15,16).
What are the key properties of 6-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine?
6-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 299.22 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 107164897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).