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

C17H30N4O — CID 89247975

IUPAC(6S)-2-amino-6-[(3R)-1-cyclohexylpiperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)([C@@H]2CCCN(C3CCCCC3)C2)N=C1N
InChIInChI=1S/C17H30N4O/c1-17(11-15(22)20(2)16(18)19-17)13-7-6-10-21(12-13)14-8-4-3-5-9-14/h13-14H,3-12H2,1-2H3,(H2,18,19)/t13-,17+/m1/s1
InChIKeyJNBWYBPHWDSYLF-DYVFJYSZSA-N
MW306.45 g/mol
LogP1.97
Rot. Bonds2

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

(6S)-2-amino-6-[(3R)-1-cyclohexylpiperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 89247975) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is (6S)-2-amino-6-[(3R)-1-cyclohexylpiperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-[(3R)-1-cyclohexylpiperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID89247975
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name(6S)-2-amino-6-[(3R)-1-cyclohexylpiperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)([C@@H]2CCCN(C3CCCCC3)C2)N=C1N
InChIInChI=1S/C17H30N4O/c1-17(11-15(22)20(2)16(18)19-17)13-7-6-10-21(12-13)14-8-4-3-5-9-14/h13-14H,3-12H2,1-2H3,(H2,18,19)/t13-,17+/m1/s1
InChIKeyJNBWYBPHWDSYLF-DYVFJYSZSA-N
XLogP1.97
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[(3R)-1-cyclohexylpiperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-[(3R)-1-cyclohexylpiperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 89247975) is (6S)-2-amino-6-[(3R)-1-cyclohexylpiperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-[(3R)-1-cyclohexylpiperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-[(3R)-1-cyclohexylpiperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)C[C@@](C)([C@@H]2CCCN(C3CCCCC3)C2)N=C1N.
What is the InChIKey of (6S)-2-amino-6-[(3R)-1-cyclohexylpiperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is JNBWYBPHWDSYLF-DYVFJYSZSA-N. The full InChI is InChI=1S/C17H30N4O/c1-17(11-15(22)20(2)16(18)19-17)13-7-6-10-21(12-13)14-8-4-3-5-9-14/h13-14H,3-12H2,1-2H3,(H2,18,19)/t13-,17+/m1/s1.
What are the key properties of (6S)-2-amino-6-[(3R)-1-cyclohexylpiperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-2-amino-6-[(3R)-1-cyclohexylpiperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 306.45 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-[(3R)-1-cyclohexylpiperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 89247975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).