N,6-dimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrimidin-4-amine

C13H18N4S — CID 80657330

IUPACN,6-dimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrimidin-4-amine
SMILESCNc1cc(C)nc(CN(C)Cc2ccsc2)n1
InChIInChI=1S/C13H18N4S/c1-10-6-12(14-2)16-13(15-10)8-17(3)7-11-4-5-18-9-11/h4-6,9H,7-8H2,1-3H3,(H,14,15,16)
InChIKeyNOHVGXBUOMBBSO-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.52
Rot. Bonds5

About N,6-dimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrimidin-4-amine

N,6-dimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrimidin-4-amine (PubChem CID 80657330) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N,6-dimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrimidin-4-amine
PubChem CID80657330
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN,6-dimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrimidin-4-amine
SMILESCNc1cc(C)nc(CN(C)Cc2ccsc2)n1
InChIInChI=1S/C13H18N4S/c1-10-6-12(14-2)16-13(15-10)8-17(3)7-11-4-5-18-9-11/h4-6,9H,7-8H2,1-3H3,(H,14,15,16)
InChIKeyNOHVGXBUOMBBSO-UHFFFAOYSA-N
XLogP2.52
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,6-dimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrimidin-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,N,N'-trimethyl-N'-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]ethane-1,2-diamine
CID 80657292
N,N-dimethyl-2-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]acetamide
CID 80657741
2-[(4-fluoro-N-methylanilino)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657940
N,2-dimethyl-3-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]propanamide
CID 106917983
N-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]quinolin-2-amine
CID 62182225
N-ethyl-2-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]acetamide
CID 80657553
2-ethyl-N,6-dimethylpyrimidin-4-amine
CID 62192654
N-methyl-1-[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophen-2-yl]methanamine
CID 80727302
N,6-dimethyl-2-[[methyl(oxolan-3-yl)amino]methyl]pyrimidin-4-amine
CID 82743511
2-[(N-ethyl-3-fluoroanilino)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657942
2-ethyl-6-N-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80934504
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 60711401

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrimidin-4-amine (CID 80657330) is N,6-dimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrimidin-4-amine is CNc1cc(C)nc(CN(C)Cc2ccsc2)n1.
What is the InChIKey of N,6-dimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrimidin-4-amine?
The InChIKey is NOHVGXBUOMBBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-10-6-12(14-2)16-13(15-10)8-17(3)7-11-4-5-18-9-11/h4-6,9H,7-8H2,1-3H3,(H,14,15,16).
What are the key properties of N,6-dimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrimidin-4-amine?
N,6-dimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrimidin-4-amine has a molecular weight of 262.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrimidin-4-amine is sourced from PubChem (CID 80657330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).