2-methyl-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

C12H14N4S — CID 115145244

IUPAC2-methyl-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCc1nc2c(c(Nc3cccs3)n1)CNCC2
InChIInChI=1S/C12H14N4S/c1-8-14-10-4-5-13-7-9(10)12(15-8)16-11-3-2-6-17-11/h2-3,6,13H,4-5,7H2,1H3,(H,14,15,16)
InChIKeyWLFSFDVLQTYXIV-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.24
Rot. Bonds2

About 2-methyl-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

2-methyl-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 115145244) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-methyl-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID115145244
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name2-methyl-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCc1nc2c(c(Nc3cccs3)n1)CNCC2
InChIInChI=1S/C12H14N4S/c1-8-14-10-4-5-13-7-9(10)12(15-8)16-11-3-2-6-17-11/h2-3,6,13H,4-5,7H2,1H3,(H,14,15,16)
InChIKeyWLFSFDVLQTYXIV-UHFFFAOYSA-N
XLogP2.24
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]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

4-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 115145015
2-methyl-N-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145251
N-cyclopentyl-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 105491814
N-(5-bromo-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145249
2-methyl-N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145292
N-[(2-bromophenyl)methyl]-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145298
N-[(4-bromophenyl)methyl]-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145286
2-methyl-N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145315
N-(cyclobutylmethyl)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145300
2-methyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 50977974
N-(3-methylphenyl)-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 160594122
N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56909048

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 115145244) is 2-methyl-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is Cc1nc2c(c(Nc3cccs3)n1)CNCC2.
What is the InChIKey of 2-methyl-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is WLFSFDVLQTYXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-8-14-10-4-5-13-7-9(10)12(15-8)16-11-3-2-6-17-11/h2-3,6,13H,4-5,7H2,1H3,(H,14,15,16).
What are the key properties of 2-methyl-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
2-methyl-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 246.34 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 115145244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).