N-(oxolan-2-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine

C17H17N3OS — CID 2952887

IUPACN-(oxolan-2-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2cc3c(NCC4CCCO4)ncnc3s2)cc1
InChIInChI=1S/C17H17N3OS/c1-2-5-12(6-3-1)15-9-14-16(19-11-20-17(14)22-15)18-10-13-7-4-8-21-13/h1-3,5-6,9,11,13H,4,7-8,10H2,(H,18,19,20)
InChIKeyYFCIFEWXTQBVNT-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.95
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine

N-(oxolan-2-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 2952887) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID2952887
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC NameN-(oxolan-2-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2cc3c(NCC4CCCO4)ncnc3s2)cc1
InChIInChI=1S/C17H17N3OS/c1-2-5-12(6-3-1)15-9-14-16(19-11-20-17(14)22-15)18-10-13-7-4-8-21-13/h1-3,5-6,9,11,13H,4,7-8,10H2,(H,18,19,20)
InChIKeyYFCIFEWXTQBVNT-UHFFFAOYSA-N
XLogP3.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 733188
N-cyclohexyl-N'-(6-phenylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 4830117
N-(oxolan-2-ylmethyl)-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine
CID 58603315
N-[[(2R)-oxolan-2-yl]methyl]-6-phenylpyrimidin-4-amine
CID 1408931
N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4882445
4-(oxolan-2-ylmethylamino)quinazoline-7-carboxylic acid
CID 16641766
6-fluoro-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
CID 59987540
N-(cyclohexylideneamino)-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 9409544
N-[[(2R)-oxolan-2-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 2067836
1-(3,4-dichlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 41476206
2-methyl-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)benzenesulfonamide
CID 9267128
4-[4-[[(2S)-oxolan-2-yl]methylamino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzaldehyde
CID 11509547

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine (CID 2952887) is N-(oxolan-2-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine is c1ccc(-c2cc3c(NCC4CCCO4)ncnc3s2)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YFCIFEWXTQBVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-2-5-12(6-3-1)15-9-14-16(19-11-20-17(14)22-15)18-10-13-7-4-8-21-13/h1-3,5-6,9,11,13H,4,7-8,10H2,(H,18,19,20).
What are the key properties of N-(oxolan-2-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
N-(oxolan-2-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 311.41 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2952887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).