(4-methylmorpholin-2-yl) 6-(oxan-4-ylamino)pyrimidine-4-carboxylate

C15H22N4O4 — CID 175334926

IUPAC(4-methylmorpholin-2-yl) 6-(oxan-4-ylamino)pyrimidine-4-carboxylate
SMILESCN1CCOC(OC(=O)c2cc(NC3CCOCC3)ncn2)C1
InChIInChI=1S/C15H22N4O4/c1-19-4-7-22-14(9-19)23-15(20)12-8-13(17-10-16-12)18-11-2-5-21-6-3-11/h8,10-11,14H,2-7,9H2,1H3,(H,16,17,18)
InChIKeyZIFSIXPOEUIHAB-UHFFFAOYSA-N
MW322.37 g/mol
LogP0.51
Rot. Bonds4

About (4-methylmorpholin-2-yl) 6-(oxan-4-ylamino)pyrimidine-4-carboxylate

(4-methylmorpholin-2-yl) 6-(oxan-4-ylamino)pyrimidine-4-carboxylate (PubChem CID 175334926) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is (4-methylmorpholin-2-yl) 6-(oxan-4-ylamino)pyrimidine-4-carboxylate.

Molecular Properties

Compound Name(4-methylmorpholin-2-yl) 6-(oxan-4-ylamino)pyrimidine-4-carboxylate
PubChem CID175334926
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name(4-methylmorpholin-2-yl) 6-(oxan-4-ylamino)pyrimidine-4-carboxylate
SMILESCN1CCOC(OC(=O)c2cc(NC3CCOCC3)ncn2)C1
InChIInChI=1S/C15H22N4O4/c1-19-4-7-22-14(9-19)23-15(20)12-8-13(17-10-16-12)18-11-2-5-21-6-3-11/h8,10-11,14H,2-7,9H2,1H3,(H,16,17,18)
InChIKeyZIFSIXPOEUIHAB-UHFFFAOYSA-N
XLogP0.51
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(3-hydroxypiperidin-1-yl)-[6-(oxan-4-ylamino)pyrimidin-4-yl]methanone
CID 170207736
6-[(1-methylazetidin-3-yl)amino]pyrimidine-4-carboxylic acid
CID 131142279
ethyl 6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxylate
CID 130405890
1-[[6-(oxan-4-ylamino)pyrimidin-4-yl]amino]propan-2-one
CID 115265033
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone
CID 126887514
2-(oxan-4-ylamino)pyridine-4-carboxylic acid
CID 43610330
6-hydrazinyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 80907012
(4-methylmorpholin-2-yl) 5-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 142793711
6-N-(oxan-4-yl)-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265760
[6-(cyclopentylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341196
methyl 6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylate
CID 166070952
6-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-4-carboxylic acid
CID 165146859

Frequently Asked Questions

What is the IUPAC name of (4-methylmorpholin-2-yl) 6-(oxan-4-ylamino)pyrimidine-4-carboxylate?
The IUPAC name of (4-methylmorpholin-2-yl) 6-(oxan-4-ylamino)pyrimidine-4-carboxylate (CID 175334926) is (4-methylmorpholin-2-yl) 6-(oxan-4-ylamino)pyrimidine-4-carboxylate.
What is the SMILES notation for (4-methylmorpholin-2-yl) 6-(oxan-4-ylamino)pyrimidine-4-carboxylate?
The canonical SMILES for (4-methylmorpholin-2-yl) 6-(oxan-4-ylamino)pyrimidine-4-carboxylate is CN1CCOC(OC(=O)c2cc(NC3CCOCC3)ncn2)C1.
What is the InChIKey of (4-methylmorpholin-2-yl) 6-(oxan-4-ylamino)pyrimidine-4-carboxylate?
The InChIKey is ZIFSIXPOEUIHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-19-4-7-22-14(9-19)23-15(20)12-8-13(17-10-16-12)18-11-2-5-21-6-3-11/h8,10-11,14H,2-7,9H2,1H3,(H,16,17,18).
What are the key properties of (4-methylmorpholin-2-yl) 6-(oxan-4-ylamino)pyrimidine-4-carboxylate?
(4-methylmorpholin-2-yl) 6-(oxan-4-ylamino)pyrimidine-4-carboxylate has a molecular weight of 322.37 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylmorpholin-2-yl) 6-(oxan-4-ylamino)pyrimidine-4-carboxylate is sourced from PubChem (CID 175334926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).