2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]chromen-4-one

C21H23N5O3 — CID 122346128

IUPAC2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]chromen-4-one
SMILESCCNc1cc(C)nc(N2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)n1
InChIInChI=1S/C21H23N5O3/c1-3-22-19-12-14(2)23-21(24-19)26-10-8-25(9-11-26)20(28)18-13-16(27)15-6-4-5-7-17(15)29-18/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,23,24)
InChIKeyVBHSCIUMAWMNGL-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.29
Rot. Bonds4

About 2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]chromen-4-one

2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]chromen-4-one (PubChem CID 122346128) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]chromen-4-one.

Molecular Properties

Compound Name2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]chromen-4-one
PubChem CID122346128
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]chromen-4-one
SMILESCCNc1cc(C)nc(N2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)n1
InChIInChI=1S/C21H23N5O3/c1-3-22-19-12-14(2)23-21(24-19)26-10-8-25(9-11-26)20(28)18-13-16(27)15-6-4-5-7-17(15)29-18/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,23,24)
InChIKeyVBHSCIUMAWMNGL-UHFFFAOYSA-N
XLogP2.29
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-isoquinolin-1-ylmethanone
CID 122346166
2-(1,2-benzoxazol-3-yl)-1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 56699603
1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 18566443
(3,5-dimethylphenyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 18566483
(3-bromophenyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 18566462
1-benzofuran-2-yl-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 122346598
[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 122346193
furan-2-yl-[4-[4-methyl-6-(2-methylpropylamino)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 112908528
(E)-1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-3-(2-methylphenyl)prop-2-en-1-one
CID 122346229
3-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]-8-methoxychromen-2-one
CID 122346085
2-(thiomorpholine-4-carbonyl)chromen-4-one
CID 22107022
2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]chromen-4-one
CID 91817838

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]chromen-4-one?
The IUPAC name of 2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]chromen-4-one (CID 122346128) is 2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]chromen-4-one.
What is the SMILES notation for 2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]chromen-4-one?
The canonical SMILES for 2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]chromen-4-one is CCNc1cc(C)nc(N2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)n1.
What is the InChIKey of 2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]chromen-4-one?
The InChIKey is VBHSCIUMAWMNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-3-22-19-12-14(2)23-21(24-19)26-10-8-25(9-11-26)20(28)18-13-16(27)15-6-4-5-7-17(15)29-18/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,23,24).
What are the key properties of 2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]chromen-4-one?
2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]chromen-4-one has a molecular weight of 393.45 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]chromen-4-one is sourced from PubChem (CID 122346128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).