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

C16H26N4O2 — CID 59387218

IUPAC(6S)-2-amino-6-[1-(2-cyclopropylacetyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(C2CCCN(C(=O)CC3CC3)C2)N=C1N
InChIInChI=1S/C16H26N4O2/c1-16(9-14(22)19(2)15(17)18-16)12-4-3-7-20(10-12)13(21)8-11-5-6-11/h11-12H,3-10H2,1-2H3,(H2,17,18)/t12?,16-/m0/s1
InChIKeyFQESRRCUOTXBQX-INSVYWFGSA-N
MW306.41 g/mol
LogP0.96
Rot. Bonds3

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

(6S)-2-amino-6-[1-(2-cyclopropylacetyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 59387218) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (6S)-2-amino-6-[1-(2-cyclopropylacetyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-[1-(2-cyclopropylacetyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID59387218
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(6S)-2-amino-6-[1-(2-cyclopropylacetyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(C2CCCN(C(=O)CC3CC3)C2)N=C1N
InChIInChI=1S/C16H26N4O2/c1-16(9-14(22)19(2)15(17)18-16)12-4-3-7-20(10-12)13(21)8-11-5-6-11/h11-12H,3-10H2,1-2H3,(H2,17,18)/t12?,16-/m0/s1
InChIKeyFQESRRCUOTXBQX-INSVYWFGSA-N
XLogP0.96
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-2-amino-5-(2-cyclohexylethyl)-5-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-3-methylimidazol-4-one
CID 57843653
2-Amino-5,5-dibutyl-3-[1-(2-cyclopropylacetyl)piperidin-4-yl]imidazol-4-one
CID 57844433
(5S)-2-amino-5-(2-cyclohexylethyl)-5-[[(3R)-1-(2-cyclopropylacetyl)piperidin-3-yl]methyl]-3-methylimidazol-4-one
CID 57844634
(5S)-2-amino-5-(2-cyclohexylethyl)-5-[[(3S)-1-(2-cyclopropylacetyl)piperidin-3-yl]methyl]-3-methylimidazol-4-one
CID 57844934
(5S)-2-amino-5-(2-cyclohexylethyl)-5-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-3-methylimidazol-4-one
CID 57845026
2-Amino-3-[[1-(2-cyclohexylacetyl)piperidin-3-yl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one
CID 57845093
(6S)-2-amino-3,6-dimethyl-6-(1-methylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one
CID 59386950
(6S)-6-(1-acetylpiperidin-3-yl)-2-amino-3,6-dimethyl-5H-pyrimidin-4-one
CID 59386992
(6S)-2-amino-6-[1-(cyclohexanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 59387064
3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 59387592
(6S)-2-amino-6-[1-(cyclopentanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 59387721
(6S)-2-amino-6-(1-cyclohexylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 59387737

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[1-(2-cyclopropylacetyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-[1-(2-cyclopropylacetyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 59387218) is (6S)-2-amino-6-[1-(2-cyclopropylacetyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-[1-(2-cyclopropylacetyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-[1-(2-cyclopropylacetyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)C[C@@](C)(C2CCCN(C(=O)CC3CC3)C2)N=C1N.
What is the InChIKey of (6S)-2-amino-6-[1-(2-cyclopropylacetyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is FQESRRCUOTXBQX-INSVYWFGSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-16(9-14(22)19(2)15(17)18-16)12-4-3-7-20(10-12)13(21)8-11-5-6-11/h11-12H,3-10H2,1-2H3,(H2,17,18)/t12?,16-/m0/s1.
What are the key properties of (6S)-2-amino-6-[1-(2-cyclopropylacetyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-2-amino-6-[1-(2-cyclopropylacetyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 306.41 g/mol, XLogP of 0.96, 3 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-(2-cyclopropylacetyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 59387218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).