N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C13H16N6O2 — CID 146148984

IUPACN-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cn(C)nc1C(C)Nc1ncnc2onc(C)c12
InChIInChI=1S/C13H16N6O2/c1-7-10-12(14-6-15-13(10)21-18-7)16-8(2)11-9(20-4)5-19(3)17-11/h5-6,8H,1-4H3,(H,14,15,16)
InChIKeyYWBPNELQLPEDCS-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.84
Rot. Bonds4

About N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 146148984) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID146148984
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC NameN-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cn(C)nc1C(C)Nc1ncnc2onc(C)c12
InChIInChI=1S/C13H16N6O2/c1-7-10-12(14-6-15-13(10)21-18-7)16-8(2)11-9(20-4)5-19(3)17-11/h5-6,8H,1-4H3,(H,14,15,16)
InChIKeyYWBPNELQLPEDCS-UHFFFAOYSA-N
XLogP1.84
TPSA90.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 146148984) is N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is COc1cn(C)nc1C(C)Nc1ncnc2onc(C)c12.
What is the InChIKey of N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is YWBPNELQLPEDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-7-10-12(14-6-15-13(10)21-18-7)16-8(2)11-9(20-4)5-19(3)17-11/h5-6,8H,1-4H3,(H,14,15,16).
What are the key properties of N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 288.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxy-1-methylpyrazol-3-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 146148984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).