N-[(4-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine

C14H17BrN4S — CID 133297295

IUPACN-[(4-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
SMILESBrc1csc(CNc2cc(N3CCCCC3)ncn2)c1
InChIInChI=1S/C14H17BrN4S/c15-11-6-12(20-9-11)8-16-13-7-14(18-10-17-13)19-4-2-1-3-5-19/h6-7,9-10H,1-5,8H2,(H,16,17,18)
InChIKeyZCQAPFUVRJXPOZ-UHFFFAOYSA-N
MW353.29 g/mol
LogP3.90
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine

N-[(4-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 133297295) has the molecular formula C14H17BrN4S and a molecular weight of 353.29 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID133297295
Molecular FormulaC14H17BrN4S
Molecular Weight353.29 g/mol
Exact Mass352.04
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
SMILESBrc1csc(CNc2cc(N3CCCCC3)ncn2)c1
InChIInChI=1S/C14H17BrN4S/c15-11-6-12(20-9-11)8-16-13-7-14(18-10-17-13)19-4-2-1-3-5-19/h6-7,9-10H,1-5,8H2,(H,16,17,18)
InChIKeyZCQAPFUVRJXPOZ-UHFFFAOYSA-N
XLogP3.90
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-bromothiophen-2-yl)methyl]-6-piperidin-1-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

Related Compounds

N-[(3-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133300034
N-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133304157
N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856024
[6-(azepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80927859
N-[[(2S)-oxolan-2-yl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 138033732
N-[(2,4-dimethylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297567
N-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855662
6-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 122282355
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
6-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 122282471
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297513
N-[(4-methylmorpholin-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133280984

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine (CID 133297295) is N-[(4-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine is Brc1csc(CNc2cc(N3CCCCC3)ncn2)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is ZCQAPFUVRJXPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4S/c15-11-6-12(20-9-11)8-16-13-7-14(18-10-17-13)19-4-2-1-3-5-19/h6-7,9-10H,1-5,8H2,(H,16,17,18).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine?
N-[(4-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 353.29 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 133297295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).