2,4-dioxo-3-phenyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1H-pyrimidine-5-carboxamide

C25H23N7O3 — CID 90545379

IUPAC2,4-dioxo-3-phenyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1cc(N2CCN(c3ccccc3)CC2)ncn1)c1c[nH]c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C25H23N7O3/c33-23(20-16-26-25(35)32(24(20)34)19-9-5-2-6-10-19)29-21-15-22(28-17-27-21)31-13-11-30(12-14-31)18-7-3-1-4-8-18/h1-10,15-17H,11-14H2,(H,26,35)(H,27,28,29,33)
InChIKeyFWZHKWCBZIDNBR-UHFFFAOYSA-N
MW469.51 g/mol
LogP1.89
Rot. Bonds5

About 2,4-dioxo-3-phenyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1H-pyrimidine-5-carboxamide

2,4-dioxo-3-phenyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1H-pyrimidine-5-carboxamide (PubChem CID 90545379) has the molecular formula C25H23N7O3 and a molecular weight of 469.51 g/mol. Its IUPAC name is 2,4-dioxo-3-phenyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-3-phenyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1H-pyrimidine-5-carboxamide
PubChem CID90545379
Molecular FormulaC25H23N7O3
Molecular Weight469.51 g/mol
Exact Mass469.19
IUPAC Name2,4-dioxo-3-phenyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1cc(N2CCN(c3ccccc3)CC2)ncn1)c1c[nH]c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C25H23N7O3/c33-23(20-16-26-25(35)32(24(20)34)19-9-5-2-6-10-19)29-21-15-22(28-17-27-21)31-13-11-30(12-14-31)18-7-3-1-4-8-18/h1-10,15-17H,11-14H2,(H,26,35)(H,27,28,29,33)
InChIKeyFWZHKWCBZIDNBR-UHFFFAOYSA-N
XLogP1.89
TPSA116.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2,4-dioxo-3-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-pyrimidine-5-carboxamide
CID 90545012
2-fluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545166
2,5-dichloro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545170
2,4-dimethyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545410
2,6-difluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545341
3-fluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545167
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide
CID 90545273
3,4,5-trimethoxy-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545207
N-(3,4-dichlorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 16815209
2-(4-phenylphenyl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 90545188
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]cyclohexanecarboxamide
CID 90545334
1-cyclopentyl-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90545517

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-3-phenyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dioxo-3-phenyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1H-pyrimidine-5-carboxamide (CID 90545379) is 2,4-dioxo-3-phenyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dioxo-3-phenyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dioxo-3-phenyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1H-pyrimidine-5-carboxamide is O=C(Nc1cc(N2CCN(c3ccccc3)CC2)ncn1)c1c[nH]c(=O)n(-c2ccccc2)c1=O.
What is the InChIKey of 2,4-dioxo-3-phenyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1H-pyrimidine-5-carboxamide?
The InChIKey is FWZHKWCBZIDNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O3/c33-23(20-16-26-25(35)32(24(20)34)19-9-5-2-6-10-19)29-21-15-22(28-17-27-21)31-13-11-30(12-14-31)18-7-3-1-4-8-18/h1-10,15-17H,11-14H2,(H,26,35)(H,27,28,29,33).
What are the key properties of 2,4-dioxo-3-phenyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1H-pyrimidine-5-carboxamide?
2,4-dioxo-3-phenyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1H-pyrimidine-5-carboxamide has a molecular weight of 469.51 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-3-phenyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 90545379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).