N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]thieno[3,2-d]pyrimidin-4-amine

C17H15N5S — CID 40789664

IUPACN-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCn1ccnc1[C@@H](Nc1ncnc2ccsc12)c1ccccc1
InChIInChI=1S/C17H15N5S/c1-22-9-8-18-17(22)14(12-5-3-2-4-6-12)21-16-15-13(7-10-23-15)19-11-20-16/h2-11,14H,1H3,(H,19,20,21)/t14-/m0/s1
InChIKeyCNBBPLQRYJUDTE-AWEZNQCLSA-N
MW321.41 g/mol
LogP3.63
Rot. Bonds4

About N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]thieno[3,2-d]pyrimidin-4-amine

N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 40789664) has the molecular formula C17H15N5S and a molecular weight of 321.41 g/mol. Its IUPAC name is N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID40789664
Molecular FormulaC17H15N5S
Molecular Weight321.41 g/mol
Exact Mass321.10
IUPAC NameN-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCn1ccnc1[C@@H](Nc1ncnc2ccsc12)c1ccccc1
InChIInChI=1S/C17H15N5S/c1-22-9-8-18-17(22)14(12-5-3-2-4-6-12)21-16-15-13(7-10-23-15)19-11-20-16/h2-11,14H,1H3,(H,19,20,21)/t14-/m0/s1
InChIKeyCNBBPLQRYJUDTE-AWEZNQCLSA-N
XLogP3.63
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]thieno[3,2-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-[(1-methylimidazol-2-yl)-phenylmethyl]quinazolin-4-amine
CID 24541708
N-[(1-methylimidazol-2-yl)-phenylmethyl]aniline
CID 12062920
5-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 24541698
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 25358367
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylquinazolin-4-amine
CID 24541703
N-(1-pyridin-2-ylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 17418978
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 40792426
3,6-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 72916824
3,6-dimethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 97205146
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 47613943
2-[(dimethylsulfamoylamino)-phenylmethyl]-1-methylimidazole
CID 47164910
N-methyl-1-(1-methylimidazol-2-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81144346

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]thieno[3,2-d]pyrimidin-4-amine (CID 40789664) is N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]thieno[3,2-d]pyrimidin-4-amine is Cn1ccnc1[C@@H](Nc1ncnc2ccsc12)c1ccccc1.
What is the InChIKey of N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is CNBBPLQRYJUDTE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H15N5S/c1-22-9-8-18-17(22)14(12-5-3-2-4-6-12)21-16-15-13(7-10-23-15)19-11-20-16/h2-11,14H,1H3,(H,19,20,21)/t14-/m0/s1.
What are the key properties of N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]thieno[3,2-d]pyrimidin-4-amine?
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 321.41 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 40789664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).