[4-[4-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methylphenyl)methanone

C23H25N5O — CID 134796845

IUPAC[4-[4-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(Nc2ccnc(N3CCN(C(=O)c4ccc(C)cc4)CC3)n2)cc1
InChIInChI=1S/C23H25N5O/c1-17-3-7-19(8-4-17)22(29)27-13-15-28(16-14-27)23-24-12-11-21(26-23)25-20-9-5-18(2)6-10-20/h3-12H,13-16H2,1-2H3,(H,24,25,26)
InChIKeyUXSTZTPTRCEIHM-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.80
Rot. Bonds4

About [4-[4-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methylphenyl)methanone

[4-[4-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methylphenyl)methanone (PubChem CID 134796845) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is [4-[4-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[4-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methylphenyl)methanone
PubChem CID134796845
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name[4-[4-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(Nc2ccnc(N3CCN(C(=O)c4ccc(C)cc4)CC3)n2)cc1
InChIInChI=1S/C23H25N5O/c1-17-3-7-19(8-4-17)22(29)27-13-15-28(16-14-27)23-24-12-11-21(26-23)25-20-9-5-18(2)6-10-20/h3-12H,13-16H2,1-2H3,(H,24,25,26)
InChIKeyUXSTZTPTRCEIHM-UHFFFAOYSA-N
XLogP3.80
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carbonyl]phenyl]ethanone
CID 122346475
ethyl 4-[4-(4-chloroanilino)pyrimidin-2-yl]piperazine-1-carboxylate
CID 112898016
[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 122348603
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)pyrimidin-4-amine
CID 112898411
furan-2-yl-[4-[4-(4-propan-2-ylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 112898704
[4-[4-(2-fluoroanilino)pyrimidin-2-yl]piperazin-1-yl]-phenylmethanone
CID 134799983
[6-(4-methylanilino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109353234
[4-[4-(2-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]-phenylmethanone
CID 134799674
[4-(4-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109216304
N-(cycloheptylmethyl)-1-[4-(4-methylanilino)pyrimidin-2-yl]piperidine-4-carboxamide
CID 134800003
[4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 58968593
[4-(4-anilinopyrimidin-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 117085240

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[4-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methylphenyl)methanone (CID 134796845) is [4-[4-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[4-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[4-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(Nc2ccnc(N3CCN(C(=O)c4ccc(C)cc4)CC3)n2)cc1.
What is the InChIKey of [4-[4-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is UXSTZTPTRCEIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-17-3-7-19(8-4-17)22(29)27-13-15-28(16-14-27)23-24-12-11-21(26-23)25-20-9-5-18(2)6-10-20/h3-12H,13-16H2,1-2H3,(H,24,25,26).
What are the key properties of [4-[4-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methylphenyl)methanone?
[4-[4-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 387.49 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 134796845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).