6-bromo-2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine

C13H15BrN4 — CID 114701517

IUPAC6-bromo-2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine
SMILESCCc1nc(Br)cc(NCc2ccncc2C)n1
InChIInChI=1S/C13H15BrN4/c1-3-12-17-11(14)6-13(18-12)16-8-10-4-5-15-7-9(10)2/h4-7H,3,8H2,1-2H3,(H,16,17,18)
InChIKeyZMKMUFZJBYXKEX-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.12
Rot. Bonds4

About 6-bromo-2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine

6-bromo-2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine (PubChem CID 114701517) has the molecular formula C13H15BrN4 and a molecular weight of 307.19 g/mol. Its IUPAC name is 6-bromo-2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine
PubChem CID114701517
Molecular FormulaC13H15BrN4
Molecular Weight307.19 g/mol
Exact Mass306.05
IUPAC Name6-bromo-2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine
SMILESCCc1nc(Br)cc(NCc2ccncc2C)n1
InChIInChI=1S/C13H15BrN4/c1-3-12-17-11(14)6-13(18-12)16-8-10-4-5-15-7-9(10)2/h4-7H,3,8H2,1-2H3,(H,16,17,18)
InChIKeyZMKMUFZJBYXKEX-UHFFFAOYSA-N
XLogP3.12
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-2-ethyl-N-[(3-methyl-4-pyridinyl)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

2-(methoxymethyl)-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 114702220
6-bromo-2-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106192890
6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 114702224
6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 114702346
6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 114702297
N,2-diethyl-6-(3-methyl-4-pyridinyl)pyrimidin-4-amine
CID 80935529
6-bromo-2-ethyl-N-(2-fluoroethyl)pyrimidin-4-amine
CID 126976268
6-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2,6-diamine
CID 114702189
2-methyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carbothioamide
CID 114768022
2-methyl-4-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,4-diamine
CID 114698439
6-bromo-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine
CID 106405420
2-chloro-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 114700702

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-bromo-2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine (CID 114701517) is 6-bromo-2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine is CCc1nc(Br)cc(NCc2ccncc2C)n1.
What is the InChIKey of 6-bromo-2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine?
The InChIKey is ZMKMUFZJBYXKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-3-12-17-11(14)6-13(18-12)16-8-10-4-5-15-7-9(10)2/h4-7H,3,8H2,1-2H3,(H,16,17,18).
What are the key properties of 6-bromo-2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine?
6-bromo-2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine has a molecular weight of 307.19 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 114701517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).