(6S)-2-amino-6-[1-(3-hydroxyphenyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one

C17H24N4O2 — CID 89248201

IUPAC(6S)-2-amino-6-[1-(3-hydroxyphenyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(C2CCCN(c3cccc(O)c3)C2)N=C1N
InChIInChI=1S/C17H24N4O2/c1-17(10-15(23)20(2)16(18)19-17)12-5-4-8-21(11-12)13-6-3-7-14(22)9-13/h3,6-7,9,12,22H,4-5,8,10-11H2,1-2H3,(H2,18,19)/t12?,17-/m0/s1
InChIKeyMYCFQOJSGBNBHU-TYJDENFWSA-N
MW316.40 g/mol
LogP1.54
Rot. Bonds2

About (6S)-2-amino-6-[1-(3-hydroxyphenyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one

(6S)-2-amino-6-[1-(3-hydroxyphenyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 89248201) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is (6S)-2-amino-6-[1-(3-hydroxyphenyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-[1-(3-hydroxyphenyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID89248201
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name(6S)-2-amino-6-[1-(3-hydroxyphenyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(C2CCCN(c3cccc(O)c3)C2)N=C1N
InChIInChI=1S/C17H24N4O2/c1-17(10-15(23)20(2)16(18)19-17)12-5-4-8-21(11-12)13-6-3-7-14(22)9-13/h3,6-7,9,12,22H,4-5,8,10-11H2,1-2H3,(H2,18,19)/t12?,17-/m0/s1
InChIKeyMYCFQOJSGBNBHU-TYJDENFWSA-N
XLogP1.54
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[1-(3-hydroxyphenyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-[1-(3-hydroxyphenyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 89248201) is (6S)-2-amino-6-[1-(3-hydroxyphenyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-[1-(3-hydroxyphenyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-[1-(3-hydroxyphenyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)C[C@@](C)(C2CCCN(c3cccc(O)c3)C2)N=C1N.
What is the InChIKey of (6S)-2-amino-6-[1-(3-hydroxyphenyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is MYCFQOJSGBNBHU-TYJDENFWSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-17(10-15(23)20(2)16(18)19-17)12-5-4-8-21(11-12)13-6-3-7-14(22)9-13/h3,6-7,9,12,22H,4-5,8,10-11H2,1-2H3,(H2,18,19)/t12?,17-/m0/s1.
What are the key properties of (6S)-2-amino-6-[1-(3-hydroxyphenyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-2-amino-6-[1-(3-hydroxyphenyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 316.40 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-[1-(3-hydroxyphenyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 89248201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).