N-[(R)-cyclopropyl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine

C16H15N3S — CID 41332400

IUPACN-[(R)-cyclopropyl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc([C@H](Nc2ncnc3sccc23)C2CC2)cc1
InChIInChI=1S/C16H15N3S/c1-2-4-11(5-3-1)14(12-6-7-12)19-15-13-8-9-20-16(13)18-10-17-15/h1-5,8-10,12,14H,6-7H2,(H,17,18,19)/t14-/m0/s1
InChIKeyXGFPEJYRJJHTQY-AWEZNQCLSA-N
MW281.38 g/mol
LogP4.25
Rot. Bonds4

About N-[(R)-cyclopropyl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine

N-[(R)-cyclopropyl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 41332400) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-[(R)-cyclopropyl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(R)-cyclopropyl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID41332400
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC NameN-[(R)-cyclopropyl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc([C@H](Nc2ncnc3sccc23)C2CC2)cc1
InChIInChI=1S/C16H15N3S/c1-2-4-11(5-3-1)14(12-6-7-12)19-15-13-8-9-20-16(13)18-10-17-15/h1-5,8-10,12,14H,6-7H2,(H,17,18,19)/t14-/m0/s1
InChIKeyXGFPEJYRJJHTQY-AWEZNQCLSA-N
XLogP4.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-furan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 9450827
N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 36725383
2,2-diphenyl-N-thieno[2,3-d]pyrimidin-4-ylacetamide
CID 7615397
N-[cyclobutyl(phenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133286334
N-cyclobutylthieno[2,3-d]pyrimidin-4-amine
CID 13038304
N-(3-phenylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 62402452
(2R)-3-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)butanoic acid
CID 93263493
N-[cyclopropyl(phenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133408385
N-(cyclopropylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 43112087
N-[(1S)-1-(4-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 155460692
2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine
CID 63732565
1-N-cyclohexyl-2-N-thieno[2,3-d]pyrimidin-4-ylbenzene-1,2-diamine
CID 68791212

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(R)-cyclopropyl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 41332400) is N-[(R)-cyclopropyl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(R)-cyclopropyl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(R)-cyclopropyl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is c1ccc([C@H](Nc2ncnc3sccc23)C2CC2)cc1.
What is the InChIKey of N-[(R)-cyclopropyl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XGFPEJYRJJHTQY-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15N3S/c1-2-4-11(5-3-1)14(12-6-7-12)19-15-13-8-9-20-16(13)18-10-17-15/h1-5,8-10,12,14H,6-7H2,(H,17,18,19)/t14-/m0/s1.
What are the key properties of N-[(R)-cyclopropyl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
N-[(R)-cyclopropyl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 281.38 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 41332400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).