2,2-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-3H-chromen-4-one

C21H24N4O3 — CID 108731884

IUPAC2,2-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-3H-chromen-4-one
SMILESCc1cc(N2CCN(C(=O)c3ccc4c(c3)C(=O)CC(C)(C)O4)CC2)ncn1
InChIInChI=1S/C21H24N4O3/c1-14-10-19(23-13-22-14)24-6-8-25(9-7-24)20(27)15-4-5-18-16(11-15)17(26)12-21(2,3)28-18/h4-5,10-11,13H,6-9,12H2,1-3H3
InChIKeyPFIPOQYNIHZJGL-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.49
Rot. Bonds2

About 2,2-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-3H-chromen-4-one

2,2-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-3H-chromen-4-one (PubChem CID 108731884) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2,2-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-3H-chromen-4-one.

Molecular Properties

Compound Name2,2-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-3H-chromen-4-one
PubChem CID108731884
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2,2-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-3H-chromen-4-one
SMILESCc1cc(N2CCN(C(=O)c3ccc4c(c3)C(=O)CC(C)(C)O4)CC2)ncn1
InChIInChI=1S/C21H24N4O3/c1-14-10-19(23-13-22-14)24-6-8-25(9-7-24)20(27)15-4-5-18-16(11-15)17(26)12-21(2,3)28-18/h4-5,10-11,13H,6-9,12H2,1-3H3
InChIKeyPFIPOQYNIHZJGL-UHFFFAOYSA-N
XLogP2.49
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-dimethyl-6-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-3H-chromen-4-one
CID 108729575
(3-methoxy-4-methylphenyl)-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 133297538
1-(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)piperidine-4-carboxamide
CID 108805167
2-(4-fluorophenyl)-5-[4-(6-methylpyrimidin-4-yl)piperazine-1-carbonyl]isoindole-1,3-dione
CID 108731775
(3-methoxyphenyl)-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108755288
(3-methyl-4-nitrophenyl)-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108731825
6-(2-hydroxyacetyl)-2,2-dimethyl-3H-chromen-4-one
CID 163042609
1,3-benzodioxol-5-yl-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 70704069
[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-(4-morpholin-4-yl-3-nitrophenyl)methanone
CID 108731798
1,3-benzodioxol-5-yl-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 70703906
(2-iodophenyl)-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108755287
(2-methoxyphenyl)-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108755273

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-3H-chromen-4-one?
The IUPAC name of 2,2-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-3H-chromen-4-one (CID 108731884) is 2,2-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-3H-chromen-4-one.
What is the SMILES notation for 2,2-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-3H-chromen-4-one?
The canonical SMILES for 2,2-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-3H-chromen-4-one is Cc1cc(N2CCN(C(=O)c3ccc4c(c3)C(=O)CC(C)(C)O4)CC2)ncn1.
What is the InChIKey of 2,2-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-3H-chromen-4-one?
The InChIKey is PFIPOQYNIHZJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14-10-19(23-13-22-14)24-6-8-25(9-7-24)20(27)15-4-5-18-16(11-15)17(26)12-21(2,3)28-18/h4-5,10-11,13H,6-9,12H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-3H-chromen-4-one?
2,2-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-3H-chromen-4-one has a molecular weight of 380.45 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-3H-chromen-4-one is sourced from PubChem (CID 108731884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).