(6S)-2-amino-6-(1-ethylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one

C13H24N4O — CID 59388549

IUPAC(6S)-2-amino-6-(1-ethylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCCN1CCCC([C@]2(C)CC(=O)N(C)C(N)=N2)C1
InChIInChI=1S/C13H24N4O/c1-4-17-7-5-6-10(9-17)13(2)8-11(18)16(3)12(14)15-13/h10H,4-9H2,1-3H3,(H2,14,15)/t10?,13-/m0/s1
InChIKeyBRJUBLFTWIGWTO-HQVZTVAUSA-N
MW252.36 g/mol
LogP0.65
Rot. Bonds2

About (6S)-2-amino-6-(1-ethylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one

(6S)-2-amino-6-(1-ethylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 59388549) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is (6S)-2-amino-6-(1-ethylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-(1-ethylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID59388549
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name(6S)-2-amino-6-(1-ethylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCCN1CCCC([C@]2(C)CC(=O)N(C)C(N)=N2)C1
InChIInChI=1S/C13H24N4O/c1-4-17-7-5-6-10(9-17)13(2)8-11(18)16(3)12(14)15-13/h10H,4-9H2,1-3H3,(H2,14,15)/t10?,13-/m0/s1
InChIKeyBRJUBLFTWIGWTO-HQVZTVAUSA-N
XLogP0.65
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.65
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-ethylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-(1-ethylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one (CID 59388549) is (6S)-2-amino-6-(1-ethylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-(1-ethylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-(1-ethylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one is CCN1CCCC([C@]2(C)CC(=O)N(C)C(N)=N2)C1.
What is the InChIKey of (6S)-2-amino-6-(1-ethylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is BRJUBLFTWIGWTO-HQVZTVAUSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-17-7-5-6-10(9-17)13(2)8-11(18)16(3)12(14)15-13/h10H,4-9H2,1-3H3,(H2,14,15)/t10?,13-/m0/s1.
What are the key properties of (6S)-2-amino-6-(1-ethylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-2-amino-6-(1-ethylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 252.36 g/mol, XLogP of 0.65, 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-ethylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 59388549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).