1-[4-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone

C18H23N5O2 — CID 112858485

IUPAC1-[4-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCOc1ccc(C)cc1Nc1cc(N2CCN(C(C)=O)CC2)ncn1
InChIInChI=1S/C18H23N5O2/c1-13-4-5-16(25-3)15(10-13)21-17-11-18(20-12-19-17)23-8-6-22(7-9-23)14(2)24/h4-5,10-12H,6-9H2,1-3H3,(H,19,20,21)
InChIKeyMUNMWBAZFGAVIF-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.21
Rot. Bonds4

About 1-[4-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone

1-[4-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 112858485) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-[4-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID112858485
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-[4-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCOc1ccc(C)cc1Nc1cc(N2CCN(C(C)=O)CC2)ncn1
InChIInChI=1S/C18H23N5O2/c1-13-4-5-16(25-3)15(10-13)21-17-11-18(20-12-19-17)23-8-6-22(7-9-23)14(2)24/h4-5,10-12H,6-9H2,1-3H3,(H,19,20,21)
InChIKeyMUNMWBAZFGAVIF-UHFFFAOYSA-N
XLogP2.21
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[6-(2,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858448
1-[4-[6-(2-methoxy-5-methylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346083
1-[4-[2-(2-methoxy-5-methylanilino)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914917
1-[4-[6-(3,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858450
(2-methoxyphenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122349323
(E)-3-(3,4-dimethoxyphenyl)-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 122349367
N-(2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968422
N-(2-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide
CID 122348977
1-[6-(2,5-dimethylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192758
1-[4-[6-(4-ethoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858484
6-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109345915
1-[6-(2-methoxy-5-methylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193637

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 112858485) is 1-[4-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone is COc1ccc(C)cc1Nc1cc(N2CCN(C(C)=O)CC2)ncn1.
What is the InChIKey of 1-[4-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is MUNMWBAZFGAVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-4-5-16(25-3)15(10-13)21-17-11-18(20-12-19-17)23-8-6-22(7-9-23)14(2)24/h4-5,10-12H,6-9H2,1-3H3,(H,19,20,21).
What are the key properties of 1-[4-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone?
1-[4-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 341.42 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 112858485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).