N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

C15H13N5S — CID 97184836

IUPACN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncnc2sccc12)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H13N5S/c1-9(13-19-11-4-2-3-5-12(11)20-13)18-14-10-6-7-21-15(10)17-8-16-14/h2-9H,1H3,(H,19,20)(H,16,17,18)/t9-/m1/s1
InChIKeyLAOJHADQSWCVFC-SECBINFHSA-N
MW295.37 g/mol
LogP3.74
Rot. Bonds3

About N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 97184836) has the molecular formula C15H13N5S and a molecular weight of 295.37 g/mol. Its IUPAC name is N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID97184836
Molecular FormulaC15H13N5S
Molecular Weight295.37 g/mol
Exact Mass295.09
IUPAC NameN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncnc2sccc12)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H13N5S/c1-9(13-19-11-4-2-3-5-12(11)20-13)18-14-10-6-7-21-15(10)17-8-16-14/h2-9H,1H3,(H,19,20)(H,16,17,18)/t9-/m1/s1
InChIKeyLAOJHADQSWCVFC-SECBINFHSA-N
XLogP3.74
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 13038313
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 133277326
N-[(1S)-1-(furan-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 9031350
N-[(1S)-1-(4-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 155460692
N-[(1S)-1-(4-bromophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 9196052
N-[(1S)-1-(4-aminophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 155460392
2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine
CID 63732565
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(3-bromothiophen-2-yl)ethanamine
CID 62672499
N-[1-(1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-2-carboxamide
CID 110468003
(2R)-3-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)butanoic acid
CID 93263493
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133270504
N-[1-(2-methylphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 67605109

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 97184836) is N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is C[C@@H](Nc1ncnc2sccc12)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LAOJHADQSWCVFC-SECBINFHSA-N. The full InChI is InChI=1S/C15H13N5S/c1-9(13-19-11-4-2-3-5-12(11)20-13)18-14-10-6-7-21-15(10)17-8-16-14/h2-9H,1H3,(H,19,20)(H,16,17,18)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 295.37 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 97184836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).