3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-phenyl-1-pyrimidin-5-ylurea

C23H24N6O2 — CID 68640453

IUPAC3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-phenyl-1-pyrimidin-5-ylurea
SMILESCN1CCN(C(=O)c2ccc(NC(=O)N(c3ccccc3)c3cncnc3)cc2)CC1
InChIInChI=1S/C23H24N6O2/c1-27-11-13-28(14-12-27)22(30)18-7-9-19(10-8-18)26-23(31)29(20-5-3-2-4-6-20)21-15-24-17-25-16-21/h2-10,15-17H,11-14H2,1H3,(H,26,31)
InChIKeyCBUUGQOHLFTKCJ-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.23
Rot. Bonds4

About 3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-phenyl-1-pyrimidin-5-ylurea

3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-phenyl-1-pyrimidin-5-ylurea (PubChem CID 68640453) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-phenyl-1-pyrimidin-5-ylurea.

Molecular Properties

Compound Name3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-phenyl-1-pyrimidin-5-ylurea
PubChem CID68640453
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-phenyl-1-pyrimidin-5-ylurea
SMILESCN1CCN(C(=O)c2ccc(NC(=O)N(c3ccccc3)c3cncnc3)cc2)CC1
InChIInChI=1S/C23H24N6O2/c1-27-11-13-28(14-12-27)22(30)18-7-9-19(10-8-18)26-23(31)29(20-5-3-2-4-6-20)21-15-24-17-25-16-21/h2-10,15-17H,11-14H2,1H3,(H,26,31)
InChIKeyCBUUGQOHLFTKCJ-UHFFFAOYSA-N
XLogP3.23
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-3-pyridin-4-yl-1-pyrimidin-5-ylurea
CID 68639358
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 94646302
1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 118087553
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 110602623
1-phenyl-3-[4-(piperazine-1-carbonyl)phenyl]-1-(5H-pyrrolo[3,2-d]pyrimidin-2-yl)urea
CID 69024471
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
2-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 119946776
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 108763681
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110619649
N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046134
2-(2-methylphenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 110664380
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-phenyl-1-pyrimidin-5-ylurea?
The IUPAC name of 3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-phenyl-1-pyrimidin-5-ylurea (CID 68640453) is 3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-phenyl-1-pyrimidin-5-ylurea.
What is the SMILES notation for 3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-phenyl-1-pyrimidin-5-ylurea?
The canonical SMILES for 3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-phenyl-1-pyrimidin-5-ylurea is CN1CCN(C(=O)c2ccc(NC(=O)N(c3ccccc3)c3cncnc3)cc2)CC1.
What is the InChIKey of 3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-phenyl-1-pyrimidin-5-ylurea?
The InChIKey is CBUUGQOHLFTKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-27-11-13-28(14-12-27)22(30)18-7-9-19(10-8-18)26-23(31)29(20-5-3-2-4-6-20)21-15-24-17-25-16-21/h2-10,15-17H,11-14H2,1H3,(H,26,31).
What are the key properties of 3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-phenyl-1-pyrimidin-5-ylurea?
3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-phenyl-1-pyrimidin-5-ylurea has a molecular weight of 416.49 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-phenyl-1-pyrimidin-5-ylurea is sourced from PubChem (CID 68640453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).