(2-amino-4-methylpyrimidin-5-yl)-(2,2-dimethylmorpholin-4-yl)methanone

C12H18N4O2 — CID 90653770

IUPAC(2-amino-4-methylpyrimidin-5-yl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCc1nc(N)ncc1C(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C12H18N4O2/c1-8-9(6-14-11(13)15-8)10(17)16-4-5-18-12(2,3)7-16/h6H,4-5,7H2,1-3H3,(H2,13,14,15)
InChIKeyITMHQUFDGPIUTC-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.62
Rot. Bonds1

About (2-amino-4-methylpyrimidin-5-yl)-(2,2-dimethylmorpholin-4-yl)methanone

(2-amino-4-methylpyrimidin-5-yl)-(2,2-dimethylmorpholin-4-yl)methanone (PubChem CID 90653770) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2-amino-4-methylpyrimidin-5-yl)-(2,2-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-methylpyrimidin-5-yl)-(2,2-dimethylmorpholin-4-yl)methanone
PubChem CID90653770
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name(2-amino-4-methylpyrimidin-5-yl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCc1nc(N)ncc1C(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C12H18N4O2/c1-8-9(6-14-11(13)15-8)10(17)16-4-5-18-12(2,3)7-16/h6H,4-5,7H2,1-3H3,(H2,13,14,15)
InChIKeyITMHQUFDGPIUTC-UHFFFAOYSA-N
XLogP0.62
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methylpyrimidin-5-yl)-(2,2-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (2-amino-4-methylpyrimidin-5-yl)-(2,2-dimethylmorpholin-4-yl)methanone (CID 90653770) is (2-amino-4-methylpyrimidin-5-yl)-(2,2-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-amino-4-methylpyrimidin-5-yl)-(2,2-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (2-amino-4-methylpyrimidin-5-yl)-(2,2-dimethylmorpholin-4-yl)methanone is Cc1nc(N)ncc1C(=O)N1CCOC(C)(C)C1.
What is the InChIKey of (2-amino-4-methylpyrimidin-5-yl)-(2,2-dimethylmorpholin-4-yl)methanone?
The InChIKey is ITMHQUFDGPIUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-9(6-14-11(13)15-8)10(17)16-4-5-18-12(2,3)7-16/h6H,4-5,7H2,1-3H3,(H2,13,14,15).
What are the key properties of (2-amino-4-methylpyrimidin-5-yl)-(2,2-dimethylmorpholin-4-yl)methanone?
(2-amino-4-methylpyrimidin-5-yl)-(2,2-dimethylmorpholin-4-yl)methanone has a molecular weight of 250.30 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methylpyrimidin-5-yl)-(2,2-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 90653770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).