[4-[4-(2-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]-phenylmethanone

C22H23N5O2 — CID 134799674

IUPAC[4-[4-(2-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]-phenylmethanone
SMILESCOc1ccccc1Nc1ccnc(N2CCN(C(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C22H23N5O2/c1-29-19-10-6-5-9-18(19)24-20-11-12-23-22(25-20)27-15-13-26(14-16-27)21(28)17-7-3-2-4-8-17/h2-12H,13-16H2,1H3,(H,23,24,25)
InChIKeyLYPNFERRAAOPEN-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.19
Rot. Bonds5

About [4-[4-(2-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]-phenylmethanone

[4-[4-(2-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]-phenylmethanone (PubChem CID 134799674) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is [4-[4-(2-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[4-(2-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]-phenylmethanone
PubChem CID134799674
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name[4-[4-(2-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]-phenylmethanone
SMILESCOc1ccccc1Nc1ccnc(N2CCN(C(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C22H23N5O2/c1-29-19-10-6-5-9-18(19)24-20-11-12-23-22(25-20)27-15-13-26(14-16-27)21(28)17-7-3-2-4-8-17/h2-12H,13-16H2,1H3,(H,23,24,25)
InChIKeyLYPNFERRAAOPEN-UHFFFAOYSA-N
XLogP3.19
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[4-(2-fluoroanilino)pyrimidin-2-yl]piperazin-1-yl]-phenylmethanone
CID 134799983
methyl 4-[4-(2-fluoroanilino)pyrimidin-2-yl]piperazine-1-carboxylate
CID 134800523
[4-[4-(2-chloroanilino)pyrimidin-2-yl]piperazin-1-yl]-(3-chlorophenyl)methanone
CID 134796457
N-(cyclopropylmethyl)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]piperidine-4-carboxamide
CID 134798498
[4-[4-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 134796845
1-[4-[5-(2-methoxyanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947103
N-(2-methoxy-5-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896522
N-(2,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896526
[(2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 134799523
1-[4-[4-(2-chloroanilino)pyrimidin-2-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 134799699
[2-(2-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 109253755
1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 134795817

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[4-(2-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]-phenylmethanone (CID 134799674) is [4-[4-(2-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[4-(2-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[4-(2-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]-phenylmethanone is COc1ccccc1Nc1ccnc(N2CCN(C(=O)c3ccccc3)CC2)n1.
What is the InChIKey of [4-[4-(2-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]-phenylmethanone?
The InChIKey is LYPNFERRAAOPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-29-19-10-6-5-9-18(19)24-20-11-12-23-22(25-20)27-15-13-26(14-16-27)21(28)17-7-3-2-4-8-17/h2-12H,13-16H2,1H3,(H,23,24,25).
What are the key properties of [4-[4-(2-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]-phenylmethanone?
[4-[4-(2-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]-phenylmethanone has a molecular weight of 389.46 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 134799674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).