(5R,6R)-5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-6-(oxolan-2-yl)piperidin-2-one

C15H22N4O3 — CID 138019416

IUPAC(5R,6R)-5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-6-(oxolan-2-yl)piperidin-2-one
SMILESCOc1cc(C)nc(N[C@@H]2CCC(=O)N[C@H]2C2CCCO2)n1
InChIInChI=1S/C15H22N4O3/c1-9-8-13(21-2)19-15(16-9)17-10-5-6-12(20)18-14(10)11-4-3-7-22-11/h8,10-11,14H,3-7H2,1-2H3,(H,18,20)(H,16,17,19)/t10-,11?,14-/m1/s1
InChIKeyFRWFJADTCUCZGM-VBCZDQSUSA-N
MW306.37 g/mol
LogP1.03
Rot. Bonds4

About (5R,6R)-5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-6-(oxolan-2-yl)piperidin-2-one

(5R,6R)-5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-6-(oxolan-2-yl)piperidin-2-one (PubChem CID 138019416) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is (5R,6R)-5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-6-(oxolan-2-yl)piperidin-2-one.

Molecular Properties

Compound Name(5R,6R)-5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-6-(oxolan-2-yl)piperidin-2-one
PubChem CID138019416
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name(5R,6R)-5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-6-(oxolan-2-yl)piperidin-2-one
SMILESCOc1cc(C)nc(N[C@@H]2CCC(=O)N[C@H]2C2CCCO2)n1
InChIInChI=1S/C15H22N4O3/c1-9-8-13(21-2)19-15(16-9)17-10-5-6-12(20)18-14(10)11-4-3-7-22-11/h8,10-11,14H,3-7H2,1-2H3,(H,18,20)(H,16,17,19)/t10-,11?,14-/m1/s1
InChIKeyFRWFJADTCUCZGM-VBCZDQSUSA-N
XLogP1.03
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-6-(oxolan-2-yl)piperidin-2-one?
The IUPAC name of (5R,6R)-5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-6-(oxolan-2-yl)piperidin-2-one (CID 138019416) is (5R,6R)-5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-6-(oxolan-2-yl)piperidin-2-one.
What is the SMILES notation for (5R,6R)-5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-6-(oxolan-2-yl)piperidin-2-one?
The canonical SMILES for (5R,6R)-5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-6-(oxolan-2-yl)piperidin-2-one is COc1cc(C)nc(N[C@@H]2CCC(=O)N[C@H]2C2CCCO2)n1.
What is the InChIKey of (5R,6R)-5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-6-(oxolan-2-yl)piperidin-2-one?
The InChIKey is FRWFJADTCUCZGM-VBCZDQSUSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-9-8-13(21-2)19-15(16-9)17-10-5-6-12(20)18-14(10)11-4-3-7-22-11/h8,10-11,14H,3-7H2,1-2H3,(H,18,20)(H,16,17,19)/t10-,11?,14-/m1/s1.
What are the key properties of (5R,6R)-5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-6-(oxolan-2-yl)piperidin-2-one?
(5R,6R)-5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-6-(oxolan-2-yl)piperidin-2-one has a molecular weight of 306.37 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-6-(oxolan-2-yl)piperidin-2-one is sourced from PubChem (CID 138019416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).