2-methyl-N-[(1R)-1-thiophen-2-ylbutyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

C14H16N4OS — CID 97155845

IUPAC2-methyl-N-[(1R)-1-thiophen-2-ylbutyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESCCC[C@@H](Nc1ncnc2oc(C)nc12)c1cccs1
InChIInChI=1S/C14H16N4OS/c1-3-5-10(11-6-4-7-20-11)18-13-12-14(16-8-15-13)19-9(2)17-12/h4,6-8,10H,3,5H2,1-2H3,(H,15,16,18)/t10-/m1/s1
InChIKeyNRHBPBOQRSSWLZ-SNVBAGLBSA-N
MW288.38 g/mol
LogP3.94
Rot. Bonds5

About 2-methyl-N-[(1R)-1-thiophen-2-ylbutyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

2-methyl-N-[(1R)-1-thiophen-2-ylbutyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (PubChem CID 97155845) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-thiophen-2-ylbutyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-thiophen-2-ylbutyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
PubChem CID97155845
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name2-methyl-N-[(1R)-1-thiophen-2-ylbutyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESCCC[C@@H](Nc1ncnc2oc(C)nc12)c1cccs1
InChIInChI=1S/C14H16N4OS/c1-3-5-10(11-6-4-7-20-11)18-13-12-14(16-8-15-13)19-9(2)17-12/h4,6-8,10H,3,5H2,1-2H3,(H,15,16,18)/t10-/m1/s1
InChIKeyNRHBPBOQRSSWLZ-SNVBAGLBSA-N
XLogP3.94
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[(1R)-1-thiophen-2-ylbutyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine with MolForge

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Related Compounds

6-methoxy-5-methyl-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine
CID 66326238
2-N,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807804
5-methyl-2-N-(1-thiophen-2-ylbutyl)pyridine-2,3-diamine
CID 66279967
5-fluoro-2-N-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80783214
3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine
CID 102984016
2,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
CID 80808300
5-bromo-2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807318
5-chloro-2-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine
CID 80758897
6-methyl-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 54962999
5-(aminomethyl)-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine
CID 106970644
6-chloro-4,5-dimethyl-N-(1-thiophen-2-ylbutyl)pyridazin-3-amine
CID 63271983
3,5-dichloro-2-N-methyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine
CID 102757081

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-thiophen-2-ylbutyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 2-methyl-N-[(1R)-1-thiophen-2-ylbutyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (CID 97155845) is 2-methyl-N-[(1R)-1-thiophen-2-ylbutyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 2-methyl-N-[(1R)-1-thiophen-2-ylbutyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 2-methyl-N-[(1R)-1-thiophen-2-ylbutyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is CCC[C@@H](Nc1ncnc2oc(C)nc12)c1cccs1.
What is the InChIKey of 2-methyl-N-[(1R)-1-thiophen-2-ylbutyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is NRHBPBOQRSSWLZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-3-5-10(11-6-4-7-20-11)18-13-12-14(16-8-15-13)19-9(2)17-12/h4,6-8,10H,3,5H2,1-2H3,(H,15,16,18)/t10-/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-1-thiophen-2-ylbutyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
2-methyl-N-[(1R)-1-thiophen-2-ylbutyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 288.38 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-1-thiophen-2-ylbutyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 97155845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).