N-[(5-bromothiophen-3-yl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine

C17H17BrN4S — CID 56587593

IUPACN-[(5-bromothiophen-3-yl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(N(C)Cc2csc(Br)c2)c1C
InChIInChI=1S/C17H17BrN4S/c1-11-12(2)20-16(14-6-4-5-7-19-14)21-17(11)22(3)9-13-8-15(18)23-10-13/h4-8,10H,9H2,1-3H3
InChIKeyPSMGKOMLJGMEQM-UHFFFAOYSA-N
MW389.32 g/mol
LogP4.62
Rot. Bonds4

About N-[(5-bromothiophen-3-yl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine

N-[(5-bromothiophen-3-yl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 56587593) has the molecular formula C17H17BrN4S and a molecular weight of 389.32 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID56587593
Molecular FormulaC17H17BrN4S
Molecular Weight389.32 g/mol
Exact Mass388.04
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(N(C)Cc2csc(Br)c2)c1C
InChIInChI=1S/C17H17BrN4S/c1-11-12(2)20-16(14-6-4-5-7-19-14)21-17(11)22(3)9-13-8-15(18)23-10-13/h4-8,10H,9H2,1-3H3
InChIKeyPSMGKOMLJGMEQM-UHFFFAOYSA-N
XLogP4.62
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(5-bromothiophen-3-yl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-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

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine (CID 56587593) is N-[(5-bromothiophen-3-yl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine is Cc1nc(-c2ccccn2)nc(N(C)Cc2csc(Br)c2)c1C.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is PSMGKOMLJGMEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4S/c1-11-12(2)20-16(14-6-4-5-7-19-14)21-17(11)22(3)9-13-8-15(18)23-10-13/h4-8,10H,9H2,1-3H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine?
N-[(5-bromothiophen-3-yl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 389.32 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 56587593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).