4-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine

C10H10ClFN4S — CID 80799680

IUPAC4-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
SMILESCN(Cc1ccc(Cl)s1)c1nc(N)ncc1F
InChIInChI=1S/C10H10ClFN4S/c1-16(5-6-2-3-8(11)17-6)9-7(12)4-14-10(13)15-9/h2-4H,5H2,1H3,(H2,13,14,15)
InChIKeyMVZNXMJQYACNEH-UHFFFAOYSA-N
MW272.74 g/mol
LogP2.55
Rot. Bonds3

About 4-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine

4-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine (PubChem CID 80799680) has the molecular formula C10H10ClFN4S and a molecular weight of 272.74 g/mol. Its IUPAC name is 4-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
PubChem CID80799680
Molecular FormulaC10H10ClFN4S
Molecular Weight272.74 g/mol
Exact Mass272.03
IUPAC Name4-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
SMILESCN(Cc1ccc(Cl)s1)c1nc(N)ncc1F
InChIInChI=1S/C10H10ClFN4S/c1-16(5-6-2-3-8(11)17-6)9-7(12)4-14-10(13)15-9/h2-4H,5H2,1H3,(H2,13,14,15)
InChIKeyMVZNXMJQYACNEH-UHFFFAOYSA-N
XLogP2.55
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine 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-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylpyrimidin-4-amine
CID 79080525
5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80799071
6-N-[(5-chlorothiophen-2-yl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 115669357
N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine
CID 55853674
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyrimidin-4-amine
CID 66340620
5-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpyridin-2-amine
CID 107081351
5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methylpyridine-3,5-diamine
CID 104533337
5-chloro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80781687
4-(aminomethyl)-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine
CID 107055274
4-N-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80987922
3-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethylpyridin-2-amine
CID 106876765
4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
CID 61438708

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine (CID 80799680) is 4-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine is CN(Cc1ccc(Cl)s1)c1nc(N)ncc1F.
What is the InChIKey of 4-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is MVZNXMJQYACNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4S/c1-16(5-6-2-3-8(11)17-6)9-7(12)4-14-10(13)15-9/h2-4H,5H2,1H3,(H2,13,14,15).
What are the key properties of 4-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine?
4-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 272.74 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80799680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).