N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine

C14H19N5O2 — CID 126823550

IUPACN-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine
SMILESCOCc1nc(C)cc(NCc2cc3n(n2)CCCO3)n1
InChIInChI=1S/C14H19N5O2/c1-10-6-12(17-13(16-10)9-20-2)15-8-11-7-14-19(18-11)4-3-5-21-14/h6-7H,3-5,8-9H2,1-2H3,(H,15,16,17)
InChIKeyPNTKSVZHJAMBAX-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.52
Rot. Bonds5

About N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine

N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine (PubChem CID 126823550) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine
PubChem CID126823550
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine
SMILESCOCc1nc(C)cc(NCc2cc3n(n2)CCCO3)n1
InChIInChI=1S/C14H19N5O2/c1-10-6-12(17-13(16-10)9-20-2)15-8-11-7-14-19(18-11)4-3-5-21-14/h6-7H,3-5,8-9H2,1-2H3,(H,15,16,17)
InChIKeyPNTKSVZHJAMBAX-UHFFFAOYSA-N
XLogP1.52
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine (CID 126823550) is N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine is COCc1nc(C)cc(NCc2cc3n(n2)CCCO3)n1.
What is the InChIKey of N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
The InChIKey is PNTKSVZHJAMBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10-6-12(17-13(16-10)9-20-2)15-8-11-7-14-19(18-11)4-3-5-21-14/h6-7H,3-5,8-9H2,1-2H3,(H,15,16,17).
What are the key properties of N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine has a molecular weight of 289.34 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 126823550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).