N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C14H18N6O — CID 72890067

IUPACN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1n[nH]c(C)c1CCCNc1ncnc2onc(C)c12
InChIInChI=1S/C14H18N6O/c1-8-11(9(2)19-18-8)5-4-6-15-13-12-10(3)20-21-14(12)17-7-16-13/h7H,4-6H2,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyDFROIDPLMCLQRY-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.31
Rot. Bonds5

About N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 72890067) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID72890067
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC NameN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1n[nH]c(C)c1CCCNc1ncnc2onc(C)c12
InChIInChI=1S/C14H18N6O/c1-8-11(9(2)19-18-8)5-4-6-15-13-12-10(3)20-21-14(12)17-7-16-13/h7H,4-6H2,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyDFROIDPLMCLQRY-UHFFFAOYSA-N
XLogP2.31
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 72890067) is N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Cc1n[nH]c(C)c1CCCNc1ncnc2onc(C)c12.
What is the InChIKey of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is DFROIDPLMCLQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-8-11(9(2)19-18-8)5-4-6-15-13-12-10(3)20-21-14(12)17-7-16-13/h7H,4-6H2,1-3H3,(H,18,19)(H,15,16,17).
What are the key properties of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 286.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 72890067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).