N-benzyl-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine

C17H14N4OS — CID 18460321

IUPACN-benzyl-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCc3ccccc3)nc(-c3ccno3)nc2s1
InChIInChI=1S/C17H14N4OS/c1-11-9-13-15(18-10-12-5-3-2-4-6-12)20-16(21-17(13)23-11)14-7-8-19-22-14/h2-9H,10H2,1H3,(H,18,20,21)
InChIKeySNTIVIRCQGPKFH-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.27
Rot. Bonds4

About N-benzyl-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine

N-benzyl-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 18460321) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is N-benzyl-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID18460321
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC NameN-benzyl-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCc3ccccc3)nc(-c3ccno3)nc2s1
InChIInChI=1S/C17H14N4OS/c1-11-9-13-15(18-10-12-5-3-2-4-6-12)20-16(21-17(13)23-11)14-7-8-19-22-14/h2-9H,10H2,1H3,(H,18,20,21)
InChIKeySNTIVIRCQGPKFH-UHFFFAOYSA-N
XLogP4.27
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2080588
2-(Isoxazol-5-yl)-4-(4-fluorobenzylamino)-6-chloro-thieno-[2,3-d]-pyrimidine
CID 18459919
4-Chloro-2-(isoxazol-5-yl)-6-trifluoromethyl-thieno-[2,3-d]-pyrimidine
CID 18460043
2-(Isoxazol-5-yl)-4-(3-nitrobenzylamino)-6-trifluoromethyl-thieno-[2,3-d]-pyrimidine
CID 18460081
2-(Isoxazol-5-yl)-4-(4-fluorobenzylamino)-5-chloro-6-methyl-thieno-[2,3-d]-pyrimidine
CID 18460119
2-(Isoxazol-5-yl)-4-(4-fluorobenzylamino)-6-methyl-thieno-[2,3-d]-pyrimidine
CID 18460172
2(Isoxazol-5-yl)-4-(3,4-dichlorobenzylamino)-6-trifluoromethyl-thieno-[2,3-d]-pyrimidine
CID 18460252
2-(Isoxazol-5-yl)-4-phenethylamino-6-trifluoromethyl-thieno-[2,3-d]-pyrimidine
CID 18460320
2-(Isoxazol-5-yl)-4-(4-fluorobenzylamino)-6-nitro-thieno-[2,3-d]-pyrimidine
CID 18460354
2-(Isoxazol-5-yl)-4-(4-fluorobenzylamino)-5-methyl-thieno-[2,3-d]-pyrimidine
CID 18460377
2-(Isoxazol-5-yl)-4-(4-fluorobenzylamino)-5,6-dimethyl-thieno-[2,3-d]-pyrimidine
CID 18460384
2-(Isoxazol-5-yl)4-(4-fluorobenzylamino)-6-trifluoromethyl-thieno-[2,3-d]-pyrimidine
CID 18460455

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine (CID 18460321) is N-benzyl-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(NCc3ccccc3)nc(-c3ccno3)nc2s1.
What is the InChIKey of N-benzyl-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SNTIVIRCQGPKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-11-9-13-15(18-10-12-5-3-2-4-6-12)20-16(21-17(13)23-11)14-7-8-19-22-14/h2-9H,10H2,1H3,(H,18,20,21).
What are the key properties of N-benzyl-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
N-benzyl-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 322.39 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18460321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).