(5R,6S)-5-[(4-methoxypyrimidin-2-yl)amino]-6-(1-methylpyrazol-4-yl)piperidin-2-one

C14H18N6O2 — CID 129006946

IUPAC(5R,6S)-5-[(4-methoxypyrimidin-2-yl)amino]-6-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCOc1ccnc(N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)n1
InChIInChI=1S/C14H18N6O2/c1-20-8-9(7-16-20)13-10(3-4-11(21)18-13)17-14-15-6-5-12(19-14)22-2/h5-8,10,13H,3-4H2,1-2H3,(H,18,21)(H,15,17,19)/t10-,13+/m1/s1
InChIKeyJSNLRIIBQIDUFH-MFKMUULPSA-N
MW302.34 g/mol
LogP0.65
Rot. Bonds4

About (5R,6S)-5-[(4-methoxypyrimidin-2-yl)amino]-6-(1-methylpyrazol-4-yl)piperidin-2-one

(5R,6S)-5-[(4-methoxypyrimidin-2-yl)amino]-6-(1-methylpyrazol-4-yl)piperidin-2-one (PubChem CID 129006946) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is (5R,6S)-5-[(4-methoxypyrimidin-2-yl)amino]-6-(1-methylpyrazol-4-yl)piperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-5-[(4-methoxypyrimidin-2-yl)amino]-6-(1-methylpyrazol-4-yl)piperidin-2-one
PubChem CID129006946
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name(5R,6S)-5-[(4-methoxypyrimidin-2-yl)amino]-6-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCOc1ccnc(N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)n1
InChIInChI=1S/C14H18N6O2/c1-20-8-9(7-16-20)13-10(3-4-11(21)18-13)17-14-15-6-5-12(19-14)22-2/h5-8,10,13H,3-4H2,1-2H3,(H,18,21)(H,15,17,19)/t10-,13+/m1/s1
InChIKeyJSNLRIIBQIDUFH-MFKMUULPSA-N
XLogP0.65
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-[(4-methoxypyrimidin-2-yl)amino]-6-(1-methylpyrazol-4-yl)piperidin-2-one?
The IUPAC name of (5R,6S)-5-[(4-methoxypyrimidin-2-yl)amino]-6-(1-methylpyrazol-4-yl)piperidin-2-one (CID 129006946) is (5R,6S)-5-[(4-methoxypyrimidin-2-yl)amino]-6-(1-methylpyrazol-4-yl)piperidin-2-one.
What is the SMILES notation for (5R,6S)-5-[(4-methoxypyrimidin-2-yl)amino]-6-(1-methylpyrazol-4-yl)piperidin-2-one?
The canonical SMILES for (5R,6S)-5-[(4-methoxypyrimidin-2-yl)amino]-6-(1-methylpyrazol-4-yl)piperidin-2-one is COc1ccnc(N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)n1.
What is the InChIKey of (5R,6S)-5-[(4-methoxypyrimidin-2-yl)amino]-6-(1-methylpyrazol-4-yl)piperidin-2-one?
The InChIKey is JSNLRIIBQIDUFH-MFKMUULPSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-20-8-9(7-16-20)13-10(3-4-11(21)18-13)17-14-15-6-5-12(19-14)22-2/h5-8,10,13H,3-4H2,1-2H3,(H,18,21)(H,15,17,19)/t10-,13+/m1/s1.
What are the key properties of (5R,6S)-5-[(4-methoxypyrimidin-2-yl)amino]-6-(1-methylpyrazol-4-yl)piperidin-2-one?
(5R,6S)-5-[(4-methoxypyrimidin-2-yl)amino]-6-(1-methylpyrazol-4-yl)piperidin-2-one has a molecular weight of 302.34 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-[(4-methoxypyrimidin-2-yl)amino]-6-(1-methylpyrazol-4-yl)piperidin-2-one is sourced from PubChem (CID 129006946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).