2-(4-chlorothiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine

C14H18ClN3S — CID 79427543

IUPAC2-(4-chlorothiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)C)nc(-c2cc(Cl)cs2)n1
InChIInChI=1S/C14H18ClN3S/c1-4-5-16-13-7-11(9(2)3)17-14(18-13)12-6-10(15)8-19-12/h6-9H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyCOQILTSHFWQZGU-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.80
Rot. Bonds5

About 2-(4-chlorothiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine

2-(4-chlorothiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 79427543) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 2-(4-chlorothiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-chlorothiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID79427543
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name2-(4-chlorothiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)C)nc(-c2cc(Cl)cs2)n1
InChIInChI=1S/C14H18ClN3S/c1-4-5-16-13-7-11(9(2)3)17-14(18-13)12-6-10(15)8-19-12/h6-9H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyCOQILTSHFWQZGU-UHFFFAOYSA-N
XLogP4.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorothiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-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-(4-chlorothiophen-2-yl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 79427323
2-(3,5-dichlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63480501
2-(4-chlorothiophen-2-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 79427994
2-(2-bromo-5-chlorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66158959
2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 62190414
2-(4-chlorothiophen-2-yl)-5-iodo-N-propylpyrimidin-4-amine
CID 79426456
2-[(4-methylphenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485245
2-(3-bromo-5-fluorophenyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66424690
2-N,2-N-diethyl-6-propan-2-yl-4-N-propylpyrimidine-2,4-diamine
CID 62190765
2-(tert-butylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 65138244
2-(2-methylcyclopropyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 65419575
2-(phenoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 62716221

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorothiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(4-chlorothiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine (CID 79427543) is 2-(4-chlorothiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-chlorothiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(4-chlorothiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1cc(C(C)C)nc(-c2cc(Cl)cs2)n1.
What is the InChIKey of 2-(4-chlorothiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is COQILTSHFWQZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-4-5-16-13-7-11(9(2)3)17-14(18-13)12-6-10(15)8-19-12/h6-9H,4-5H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(4-chlorothiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
2-(4-chlorothiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 295.84 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorothiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 79427543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).