(2-amino-6-propan-2-ylpyrimidin-4-yl)-(oxazinan-2-yl)methanone

C12H18N4O2 — CID 28786531

IUPAC(2-amino-6-propan-2-ylpyrimidin-4-yl)-(oxazinan-2-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCCCO2)nc(N)n1
InChIInChI=1S/C12H18N4O2/c1-8(2)9-7-10(15-12(13)14-9)11(17)16-5-3-4-6-18-16/h7-8H,3-6H2,1-2H3,(H2,13,14,15)
InChIKeyIULQTXRWKMDLAI-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.35
Rot. Bonds2

About (2-amino-6-propan-2-ylpyrimidin-4-yl)-(oxazinan-2-yl)methanone

(2-amino-6-propan-2-ylpyrimidin-4-yl)-(oxazinan-2-yl)methanone (PubChem CID 28786531) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2-amino-6-propan-2-ylpyrimidin-4-yl)-(oxazinan-2-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-propan-2-ylpyrimidin-4-yl)-(oxazinan-2-yl)methanone
PubChem CID28786531
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name(2-amino-6-propan-2-ylpyrimidin-4-yl)-(oxazinan-2-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCCCO2)nc(N)n1
InChIInChI=1S/C12H18N4O2/c1-8(2)9-7-10(15-12(13)14-9)11(17)16-5-3-4-6-18-16/h7-8H,3-6H2,1-2H3,(H2,13,14,15)
InChIKeyIULQTXRWKMDLAI-UHFFFAOYSA-N
XLogP1.35
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-amino-6-propan-2-ylpyrimidin-4-yl)-(oxazinan-2-yl)methanone?
The IUPAC name of (2-amino-6-propan-2-ylpyrimidin-4-yl)-(oxazinan-2-yl)methanone (CID 28786531) is (2-amino-6-propan-2-ylpyrimidin-4-yl)-(oxazinan-2-yl)methanone.
What is the SMILES notation for (2-amino-6-propan-2-ylpyrimidin-4-yl)-(oxazinan-2-yl)methanone?
The canonical SMILES for (2-amino-6-propan-2-ylpyrimidin-4-yl)-(oxazinan-2-yl)methanone is CC(C)c1cc(C(=O)N2CCCCO2)nc(N)n1.
What is the InChIKey of (2-amino-6-propan-2-ylpyrimidin-4-yl)-(oxazinan-2-yl)methanone?
The InChIKey is IULQTXRWKMDLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8(2)9-7-10(15-12(13)14-9)11(17)16-5-3-4-6-18-16/h7-8H,3-6H2,1-2H3,(H2,13,14,15).
What are the key properties of (2-amino-6-propan-2-ylpyrimidin-4-yl)-(oxazinan-2-yl)methanone?
(2-amino-6-propan-2-ylpyrimidin-4-yl)-(oxazinan-2-yl)methanone has a molecular weight of 250.30 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-propan-2-ylpyrimidin-4-yl)-(oxazinan-2-yl)methanone is sourced from PubChem (CID 28786531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).