1-N-methyl-1-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine

C13H18N4S — CID 116977377

IUPAC1-N-methyl-1-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine
SMILESCc1ccsc1-c1cnc(N(C)CC(C)N)nc1
InChIInChI=1S/C13H18N4S/c1-9-4-5-18-12(9)11-6-15-13(16-7-11)17(3)8-10(2)14/h4-7,10H,8,14H2,1-3H3
InChIKeySLQFJNXTWOYHRS-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.30
Rot. Bonds4

About 1-N-methyl-1-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine

1-N-methyl-1-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine (PubChem CID 116977377) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-N-methyl-1-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine
PubChem CID116977377
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name1-N-methyl-1-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine
SMILESCc1ccsc1-c1cnc(N(C)CC(C)N)nc1
InChIInChI=1S/C13H18N4S/c1-9-4-5-18-12(9)11-6-15-13(16-7-11)17(3)8-10(2)14/h4-7,10H,8,14H2,1-3H3
InChIKeySLQFJNXTWOYHRS-UHFFFAOYSA-N
XLogP2.30
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-N-methyl-1-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-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

N'-methyl-N'-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 116977309
1-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]butane-1,3-diamine
CID 116974573
1-N-(5-ethylpyrimidin-2-yl)-1-N-methylpropane-1,2-diamine
CID 116977344
1-N-methyl-1-N-(4-methylpyrimidin-2-yl)propane-1,2-diamine
CID 63761938
2-methyl-2-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine
CID 116974370
1-N-methyl-1-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,2-diamine
CID 63761550
2-[[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]amino]ethanol
CID 116975040
N,5-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 130679981
1-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 116884665
1-butan-2-yl-3-(3-methylthiophen-2-yl)pyrazol-4-amine
CID 83217737
4-(3-methylthiophen-2-yl)pyridin-2-amine
CID 104877350
(2S)-1-N-methyl-1-N-(4-methylphenyl)propane-1,2-diamine
CID 28772456

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine (CID 116977377) is 1-N-methyl-1-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine is Cc1ccsc1-c1cnc(N(C)CC(C)N)nc1.
What is the InChIKey of 1-N-methyl-1-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine?
The InChIKey is SLQFJNXTWOYHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-9-4-5-18-12(9)11-6-15-13(16-7-11)17(3)8-10(2)14/h4-7,10H,8,14H2,1-3H3.
What are the key properties of 1-N-methyl-1-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine?
1-N-methyl-1-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine has a molecular weight of 262.38 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine is sourced from PubChem (CID 116977377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).