(6R)-2-amino-6-indolizin-2-yl-3,6-dimethyl-5H-pyrimidin-4-one

C14H16N4O — CID 70129994

IUPAC(6R)-2-amino-6-indolizin-2-yl-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@](C)(c2cc3ccccn3c2)N=C1N
InChIInChI=1S/C14H16N4O/c1-14(8-12(19)17(2)13(15)16-14)10-7-11-5-3-4-6-18(11)9-10/h3-7,9H,8H2,1-2H3,(H2,15,16)/t14-/m1/s1
InChIKeyLKJUJVNCCDKKKV-CQSZACIVSA-N
MW256.31 g/mol
LogP1.33
Rot. Bonds1

About (6R)-2-amino-6-indolizin-2-yl-3,6-dimethyl-5H-pyrimidin-4-one

(6R)-2-amino-6-indolizin-2-yl-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 70129994) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (6R)-2-amino-6-indolizin-2-yl-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6R)-2-amino-6-indolizin-2-yl-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID70129994
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(6R)-2-amino-6-indolizin-2-yl-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@](C)(c2cc3ccccn3c2)N=C1N
InChIInChI=1S/C14H16N4O/c1-14(8-12(19)17(2)13(15)16-14)10-7-11-5-3-4-6-18(11)9-10/h3-7,9H,8H2,1-2H3,(H2,15,16)/t14-/m1/s1
InChIKeyLKJUJVNCCDKKKV-CQSZACIVSA-N
XLogP1.33
TPSA63.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-amino-6-indolizin-2-yl-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6R)-2-amino-6-indolizin-2-yl-3,6-dimethyl-5H-pyrimidin-4-one (CID 70129994) is (6R)-2-amino-6-indolizin-2-yl-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6R)-2-amino-6-indolizin-2-yl-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6R)-2-amino-6-indolizin-2-yl-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)C[C@](C)(c2cc3ccccn3c2)N=C1N.
What is the InChIKey of (6R)-2-amino-6-indolizin-2-yl-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is LKJUJVNCCDKKKV-CQSZACIVSA-N. The full InChI is InChI=1S/C14H16N4O/c1-14(8-12(19)17(2)13(15)16-14)10-7-11-5-3-4-6-18(11)9-10/h3-7,9H,8H2,1-2H3,(H2,15,16)/t14-/m1/s1.
What are the key properties of (6R)-2-amino-6-indolizin-2-yl-3,6-dimethyl-5H-pyrimidin-4-one?
(6R)-2-amino-6-indolizin-2-yl-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 256.31 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-amino-6-indolizin-2-yl-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 70129994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).