N-(3,5-dimethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C15H16N4O3 — CID 52998656

IUPACN-(3,5-dimethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cc(Nc2nc(C)nc3onc(C)c23)cc(OC)c1
InChIInChI=1S/C15H16N4O3/c1-8-13-14(16-9(2)17-15(13)22-19-8)18-10-5-11(20-3)7-12(6-10)21-4/h5-7H,1-4H3,(H,16,17,18)
InChIKeyRWIKRPAJOZAXMI-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.00
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

N-(3,5-dimethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 52998656) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID52998656
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC NameN-(3,5-dimethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cc(Nc2nc(C)nc3onc(C)c23)cc(OC)c1
InChIInChI=1S/C15H16N4O3/c1-8-13-14(16-9(2)17-15(13)22-19-8)18-10-5-11(20-3)7-12(6-10)21-4/h5-7H,1-4H3,(H,16,17,18)
InChIKeyRWIKRPAJOZAXMI-UHFFFAOYSA-N
XLogP3.00
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 16023585
4-(6-Chloro-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one
CID 164628242
N-(2,4-dimethoxyphenyl)-3-methylisoxazolo[5,4-d]pyrimidin-4-amine
CID 16023516
3-(2-methoxyphenyl)-N-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 24818126
N-(3-Methoxyphenyl)-1-{3-methyl-[1,2]oxazolo[5,4-D]pyrimidin-4-YL}piperidine-3-carboxamide
CID 16024392
4-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
CID 156599542
N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922631
3-(3,5-difluorophenyl)-N-(3,5-dimethoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359513
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 52998668
N-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 99836629
2-Amino-1-(2,6-difluoro-3,5-dimethoxyphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 176011386
N-(3,5-dimethoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20924754

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 52998656) is N-(3,5-dimethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is COc1cc(Nc2nc(C)nc3onc(C)c23)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is RWIKRPAJOZAXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-8-13-14(16-9(2)17-15(13)22-19-8)18-10-5-11(20-3)7-12(6-10)21-4/h5-7H,1-4H3,(H,16,17,18).
What are the key properties of N-(3,5-dimethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-(3,5-dimethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 300.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 52998656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).