[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-indolizin-2-ylmethanone

C20H24N6O — CID 122332870

IUPAC[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-indolizin-2-ylmethanone
SMILESCc1cc(N(C)C)nc(N2CCN(C(=O)c3cc4ccccn4c3)CC2)n1
InChIInChI=1S/C20H24N6O/c1-15-12-18(23(2)3)22-20(21-15)25-10-8-24(9-11-25)19(27)16-13-17-6-4-5-7-26(17)14-16/h4-7,12-14H,8-11H2,1-3H3
InChIKeyAPOIIGQDMPPQGL-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.07
Rot. Bonds3

About [4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-indolizin-2-ylmethanone

[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-indolizin-2-ylmethanone (PubChem CID 122332870) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is [4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-indolizin-2-ylmethanone.

Molecular Properties

Compound Name[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-indolizin-2-ylmethanone
PubChem CID122332870
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-indolizin-2-ylmethanone
SMILESCc1cc(N(C)C)nc(N2CCN(C(=O)c3cc4ccccn4c3)CC2)n1
InChIInChI=1S/C20H24N6O/c1-15-12-18(23(2)3)22-20(21-15)25-10-8-24(9-11-25)19(27)16-13-17-6-4-5-7-26(17)14-16/h4-7,12-14H,8-11H2,1-3H3
InChIKeyAPOIIGQDMPPQGL-UHFFFAOYSA-N
XLogP2.07
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-phenylmethanone
CID 121031818
1-[4-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]phenyl]ethanone
CID 122332892
[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 18566518
(3-bromophenyl)-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 22585317
indolizin-2-yl-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342479
[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 122332746
1,3-benzothiazol-6-yl-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 122332753
(2-chloro-4-fluorophenyl)-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 121031840
2-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 154830244
[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 122332871
(E)-1-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-3-(2-fluorophenyl)prop-2-en-1-one
CID 122332886
[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-indolizin-2-ylmethanone
CID 100618627

Frequently Asked Questions

What is the IUPAC name of [4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-indolizin-2-ylmethanone?
The IUPAC name of [4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-indolizin-2-ylmethanone (CID 122332870) is [4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-indolizin-2-ylmethanone.
What is the SMILES notation for [4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-indolizin-2-ylmethanone?
The canonical SMILES for [4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-indolizin-2-ylmethanone is Cc1cc(N(C)C)nc(N2CCN(C(=O)c3cc4ccccn4c3)CC2)n1.
What is the InChIKey of [4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-indolizin-2-ylmethanone?
The InChIKey is APOIIGQDMPPQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-15-12-18(23(2)3)22-20(21-15)25-10-8-24(9-11-25)19(27)16-13-17-6-4-5-7-26(17)14-16/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of [4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-indolizin-2-ylmethanone?
[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-indolizin-2-ylmethanone has a molecular weight of 364.45 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-indolizin-2-ylmethanone is sourced from PubChem (CID 122332870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).