5,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]thieno[2,3-d]pyrimidin-4-amine

C18H20N4OS — CID 135113362

IUPAC5,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(N[C@@H]3COC[C@H]3Cc3ccncc3)c2c1C
InChIInChI=1S/C18H20N4OS/c1-11-12(2)24-18-16(11)17(20-10-21-18)22-15-9-23-8-14(15)7-13-3-5-19-6-4-13/h3-6,10,14-15H,7-9H2,1-2H3,(H,20,21,22)/t14-,15-/m1/s1
InChIKeyVSIBFMSTZVUVEK-HUUCEWRRSA-N
MW340.45 g/mol
LogP3.37
Rot. Bonds4

About 5,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 135113362) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 5,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID135113362
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name5,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(N[C@@H]3COC[C@H]3Cc3ccncc3)c2c1C
InChIInChI=1S/C18H20N4OS/c1-11-12(2)24-18-16(11)17(20-10-21-18)22-15-9-23-8-14(15)7-13-3-5-19-6-4-13/h3-6,10,14-15H,7-9H2,1-2H3,(H,20,21,22)/t14-,15-/m1/s1
InChIKeyVSIBFMSTZVUVEK-HUUCEWRRSA-N
XLogP3.37
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]thieno[2,3-d]pyrimidin-4-amine (CID 135113362) is 5,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]thieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(N[C@@H]3COC[C@H]3Cc3ccncc3)c2c1C.
What is the InChIKey of 5,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VSIBFMSTZVUVEK-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-11-12(2)24-18-16(11)17(20-10-21-18)22-15-9-23-8-14(15)7-13-3-5-19-6-4-13/h3-6,10,14-15H,7-9H2,1-2H3,(H,20,21,22)/t14-,15-/m1/s1.
What are the key properties of 5,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 340.45 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 135113362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).