N-(furan-2-ylmethyl)-N,5,6-trimethyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine

C22H23N3OS — CID 46132087

IUPACN-(furan-2-ylmethyl)-N,5,6-trimethyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CCc3ccccc3)nc(N(C)Cc3ccco3)c2c1C
InChIInChI=1S/C22H23N3OS/c1-15-16(2)27-22-20(15)21(25(3)14-18-10-7-13-26-18)23-19(24-22)12-11-17-8-5-4-6-9-17/h4-10,13H,11-12,14H2,1-3H3
InChIKeyAHKLNLASFYJGCG-UHFFFAOYSA-N
MW377.51 g/mol
LogP5.32
Rot. Bonds6

About N-(furan-2-ylmethyl)-N,5,6-trimethyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine

N-(furan-2-ylmethyl)-N,5,6-trimethyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 46132087) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N,5,6-trimethyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N,5,6-trimethyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID46132087
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC NameN-(furan-2-ylmethyl)-N,5,6-trimethyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CCc3ccccc3)nc(N(C)Cc3ccco3)c2c1C
InChIInChI=1S/C22H23N3OS/c1-15-16(2)27-22-20(15)21(25(3)14-18-10-7-13-26-18)23-19(24-22)12-11-17-8-5-4-6-9-17/h4-10,13H,11-12,14H2,1-3H3
InChIKeyAHKLNLASFYJGCG-UHFFFAOYSA-N
XLogP5.32
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(furan-2-ylmethyl)-N,5,6-trimethyl-2-(2-phenylethyl)thieno[2,3-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

N,5,6-trimethyl-N-[(2-methylphenyl)methyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 18079574
N,5,6-trimethyl-N-[(4-methylphenyl)methyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9113875
N-(furan-2-ylmethyl)-2-[(furan-2-ylmethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 2371805
2-(2-aminoethyl)-N-[4-(furan-2-yl)butan-2-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 50960647
ethyl 4-[benzyl(methyl)amino]-2-[[benzyl(methyl)amino]methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 2125577
N,5,6-trimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 166328871
2-chloro-6-ethyl-N-(furan-2-ylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320635
6-ethyl-4-N-(furan-2-ylmethyl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324904
N-[(3,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 3802517
2-chloro-N-(furan-2-ylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320636
N-(furan-2-ylmethyl)-2-hydrazinyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 103332276
4-N-(furan-2-ylmethyl)-4-N,2-dimethyl-1H-imidazole-4,5-diamine
CID 82237096

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N,5,6-trimethyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-N,5,6-trimethyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine (CID 46132087) is N-(furan-2-ylmethyl)-N,5,6-trimethyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N,5,6-trimethyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-N,5,6-trimethyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(CCc3ccccc3)nc(N(C)Cc3ccco3)c2c1C.
What is the InChIKey of N-(furan-2-ylmethyl)-N,5,6-trimethyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is AHKLNLASFYJGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c1-15-16(2)27-22-20(15)21(25(3)14-18-10-7-13-26-18)23-19(24-22)12-11-17-8-5-4-6-9-17/h4-10,13H,11-12,14H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-N,5,6-trimethyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
N-(furan-2-ylmethyl)-N,5,6-trimethyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 377.51 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N,5,6-trimethyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 46132087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).