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

C18H30N4O2 — CID 59387064

IUPAC(6S)-2-amino-6-[1-(cyclohexanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(C2CCCN(C(=O)C3CCCCC3)C2)N=C1N
InChIInChI=1S/C18H30N4O2/c1-18(11-15(23)21(2)17(19)20-18)14-9-6-10-22(12-14)16(24)13-7-4-3-5-8-13/h13-14H,3-12H2,1-2H3,(H2,19,20)/t14?,18-/m0/s1
InChIKeyLPPYWFUWAPCEHD-IBYPIGCZSA-N
MW334.46 g/mol
LogP1.74
Rot. Bonds2

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

(6S)-2-amino-6-[1-(cyclohexanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 59387064) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is (6S)-2-amino-6-[1-(cyclohexanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-[1-(cyclohexanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID59387064
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name(6S)-2-amino-6-[1-(cyclohexanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(C2CCCN(C(=O)C3CCCCC3)C2)N=C1N
InChIInChI=1S/C18H30N4O2/c1-18(11-15(23)21(2)17(19)20-18)14-9-6-10-22(12-14)16(24)13-7-4-3-5-8-13/h13-14H,3-12H2,1-2H3,(H2,19,20)/t14?,18-/m0/s1
InChIKeyLPPYWFUWAPCEHD-IBYPIGCZSA-N
XLogP1.74
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.74
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-[1-(cyclohexanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-[1-(cyclohexanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 59387064) is (6S)-2-amino-6-[1-(cyclohexanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-[1-(cyclohexanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-[1-(cyclohexanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)C[C@@](C)(C2CCCN(C(=O)C3CCCCC3)C2)N=C1N.
What is the InChIKey of (6S)-2-amino-6-[1-(cyclohexanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is LPPYWFUWAPCEHD-IBYPIGCZSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-18(11-15(23)21(2)17(19)20-18)14-9-6-10-22(12-14)16(24)13-7-4-3-5-8-13/h13-14H,3-12H2,1-2H3,(H2,19,20)/t14?,18-/m0/s1.
What are the key properties of (6S)-2-amino-6-[1-(cyclohexanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-2-amino-6-[1-(cyclohexanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 334.46 g/mol, XLogP of 1.74, 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-[1-(cyclohexanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 59387064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).