5-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyrimidin-4-amine

C12H19BrN4 — CID 66340780

IUPAC5-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyrimidin-4-amine
SMILESCCN1CCC(CNc2ncncc2Br)CC1
InChIInChI=1S/C12H19BrN4/c1-2-17-5-3-10(4-6-17)7-15-12-11(13)8-14-9-16-12/h8-10H,2-7H2,1H3,(H,14,15,16)
InChIKeyHAOTVBVDJADCGL-UHFFFAOYSA-N
MW299.22 g/mol
LogP2.38
Rot. Bonds4

About 5-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyrimidin-4-amine

5-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyrimidin-4-amine (PubChem CID 66340780) has the molecular formula C12H19BrN4 and a molecular weight of 299.22 g/mol. Its IUPAC name is 5-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyrimidin-4-amine
PubChem CID66340780
Molecular FormulaC12H19BrN4
Molecular Weight299.22 g/mol
Exact Mass298.08
IUPAC Name5-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyrimidin-4-amine
SMILESCCN1CCC(CNc2ncncc2Br)CC1
InChIInChI=1S/C12H19BrN4/c1-2-17-5-3-10(4-6-17)7-15-12-11(13)8-14-9-16-12/h8-10H,2-7H2,1H3,(H,14,15,16)
InChIKeyHAOTVBVDJADCGL-UHFFFAOYSA-N
XLogP2.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

Analyze 5-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(cyclobutylmethyl)pyrimidin-4-amine
CID 66341211
3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridin-4-amine
CID 113452023
4-N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80791601
5-bromo-N-(cyclohex-3-en-1-ylmethyl)pyrimidin-4-amine
CID 66320647
5-bromo-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80789358
4-N-[(1-ethylpiperidin-4-yl)methyl]-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 78955385
3-chloro-2-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2,5-diamine
CID 114046183
5-bromo-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine
CID 129005887
5-bromo-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 66339705
3-bromo-2-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methylpyridine-2,5-diamine
CID 113420407
5-bromo-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 66343219
6-bromo-N-[(1-ethylpiperidin-4-yl)methyl]quinazolin-2-amine
CID 58829493

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyrimidin-4-amine (CID 66340780) is 5-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyrimidin-4-amine is CCN1CCC(CNc2ncncc2Br)CC1.
What is the InChIKey of 5-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is HAOTVBVDJADCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4/c1-2-17-5-3-10(4-6-17)7-15-12-11(13)8-14-9-16-12/h8-10H,2-7H2,1H3,(H,14,15,16).
What are the key properties of 5-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyrimidin-4-amine?
5-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 299.22 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 66340780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).