6-cyclopropyl-3-[2-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one

C25H29N7O2 — CID 122348489

IUPAC6-cyclopropyl-3-[2-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
SMILESCc1ccc(Nc2nc(C)cc(N3CCN(C(=O)Cn4cnc(C5CC5)cc4=O)CC3)n2)cc1
InChIInChI=1S/C25H29N7O2/c1-17-3-7-20(8-4-17)28-25-27-18(2)13-22(29-25)30-9-11-31(12-10-30)24(34)15-32-16-26-21(14-23(32)33)19-5-6-19/h3-4,7-8,13-14,16,19H,5-6,9-12,15H2,1-2H3,(H,27,28,29)
InChIKeyTZOIFJMAWJGUCJ-UHFFFAOYSA-N
MW459.55 g/mol
LogP2.62
Rot. Bonds6

About 6-cyclopropyl-3-[2-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one

6-cyclopropyl-3-[2-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one (PubChem CID 122348489) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 6-cyclopropyl-3-[2-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclopropyl-3-[2-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
PubChem CID122348489
Molecular FormulaC25H29N7O2
Molecular Weight459.55 g/mol
Exact Mass459.24
IUPAC Name6-cyclopropyl-3-[2-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
SMILESCc1ccc(Nc2nc(C)cc(N3CCN(C(=O)Cn4cnc(C5CC5)cc4=O)CC3)n2)cc1
InChIInChI=1S/C25H29N7O2/c1-17-3-7-20(8-4-17)28-25-27-18(2)13-22(29-25)30-9-11-31(12-10-30)24(34)15-32-16-26-21(14-23(32)33)19-5-6-19/h3-4,7-8,13-14,16,19H,5-6,9-12,15H2,1-2H3,(H,27,28,29)
InChIKeyTZOIFJMAWJGUCJ-UHFFFAOYSA-N
XLogP2.62
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-cyclopropyl-3-[2-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

6-cyclopropyl-3-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122339848
6-cyclopropyl-3-[2-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122350448
1-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 122348463
6-cyclopropyl-3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122337587
6-cyclopropyl-3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122339344
3-cyclopentyl-1-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 122348357
6-cyclopropyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122332651
6-cyclopropyl-3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyrimidin-4-one
CID 122334466
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide
CID 122325150
[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 53047653
2-(4-fluorophenyl)-1-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 121090324
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 122287923

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[2-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?
The IUPAC name of 6-cyclopropyl-3-[2-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one (CID 122348489) is 6-cyclopropyl-3-[2-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one.
What is the SMILES notation for 6-cyclopropyl-3-[2-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?
The canonical SMILES for 6-cyclopropyl-3-[2-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one is Cc1ccc(Nc2nc(C)cc(N3CCN(C(=O)Cn4cnc(C5CC5)cc4=O)CC3)n2)cc1.
What is the InChIKey of 6-cyclopropyl-3-[2-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?
The InChIKey is TZOIFJMAWJGUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2/c1-17-3-7-20(8-4-17)28-25-27-18(2)13-22(29-25)30-9-11-31(12-10-30)24(34)15-32-16-26-21(14-23(32)33)19-5-6-19/h3-4,7-8,13-14,16,19H,5-6,9-12,15H2,1-2H3,(H,27,28,29).
What are the key properties of 6-cyclopropyl-3-[2-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?
6-cyclopropyl-3-[2-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one has a molecular weight of 459.55 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[2-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one is sourced from PubChem (CID 122348489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).