[2-(2-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone

C17H21N5O2 — CID 109253755

IUPAC[2-(2-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccccc1Nc1ncc(C(=O)N2CCN(C)CC2)cn1
InChIInChI=1S/C17H21N5O2/c1-21-7-9-22(10-8-21)16(23)13-11-18-17(19-12-13)20-14-5-3-4-6-15(14)24-2/h3-6,11-12H,7-10H2,1-2H3,(H,18,19,20)
InChIKeyYTZGFESSYZIJPA-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.62
Rot. Bonds4

About [2-(2-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone

[2-(2-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109253755) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is [2-(2-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109253755
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name[2-(2-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccccc1Nc1ncc(C(=O)N2CCN(C)CC2)cn1
InChIInChI=1S/C17H21N5O2/c1-21-7-9-22(10-8-21)16(23)13-11-18-17(19-12-13)20-14-5-3-4-6-15(14)24-2/h3-6,11-12H,7-10H2,1-2H3,(H,18,19,20)
InChIKeyYTZGFESSYZIJPA-UHFFFAOYSA-N
XLogP1.62
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[2-(2-methoxyanilino)pyrimidine-5-carbonyl]piperazine-1-carboxylate
CID 109261901
[2-(5-chloro-2-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 109253752
[2-(2-ethylanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 109253729
3,4-dihydro-2H-quinolin-1-yl-[2-(2-methoxyanilino)pyrimidin-5-yl]methanone
CID 109266253
4-[2-(2-propan-2-yloxyanilino)pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
CID 109254405
[2-(2-methoxy-5-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109250025
[2-(2,4-dimethoxyanilino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109254104
2-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one
CID 46843770
1-[4-[2-(3,4-dimethoxyanilino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254702
[4-[4-(2-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]-phenylmethanone
CID 134799674
[5-(2-ethoxyanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230172
2-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)anilino]-4-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 163291243

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-(2-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone (CID 109253755) is [2-(2-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(2-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(2-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone is COc1ccccc1Nc1ncc(C(=O)N2CCN(C)CC2)cn1.
What is the InChIKey of [2-(2-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is YTZGFESSYZIJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-21-7-9-22(10-8-21)16(23)13-11-18-17(19-12-13)20-14-5-3-4-6-15(14)24-2/h3-6,11-12H,7-10H2,1-2H3,(H,18,19,20).
What are the key properties of [2-(2-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone?
[2-(2-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 327.39 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109253755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).