1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone

C19H25N5O2 — CID 112914826

IUPAC1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCOc1ccccc1CNc1nc(C)cc(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C19H25N5O2/c1-14-12-18(24-10-8-23(9-11-24)15(2)25)22-19(21-14)20-13-16-6-4-5-7-17(16)26-3/h4-7,12H,8-11,13H2,1-3H3,(H,20,21,22)
InChIKeyKUEAJLPVJCNLRM-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.07
Rot. Bonds5

About 1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone

1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 112914826) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID112914826
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCOc1ccccc1CNc1nc(C)cc(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C19H25N5O2/c1-14-12-18(24-10-8-23(9-11-24)15(2)25)22-19(21-14)20-13-16-6-4-5-7-17(16)26-3/h4-7,12H,8-11,13H2,1-3H3,(H,20,21,22)
InChIKeyKUEAJLPVJCNLRM-UHFFFAOYSA-N
XLogP2.07
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909254
1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109326670
1-[4-[2-(2-methoxy-5-methylanilino)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914917
1-[4-[2-[2-(4-chlorophenyl)ethylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914848
N-[(2-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936261
1-[4-[2-(2-tert-butylanilino)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914896
1-[6-methyl-2-[(2-methylphenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113194099
1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone
CID 56699104
2-methoxy-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 50945981
6-(4-acetylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109117087
[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
CID 122351043
N-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329140

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone (CID 112914826) is 1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone is COc1ccccc1CNc1nc(C)cc(N2CCN(C(C)=O)CC2)n1.
What is the InChIKey of 1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is KUEAJLPVJCNLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14-12-18(24-10-8-23(9-11-24)15(2)25)22-19(21-14)20-13-16-6-4-5-7-17(16)26-3/h4-7,12H,8-11,13H2,1-3H3,(H,20,21,22).
What are the key properties of 1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone?
1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 355.44 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 112914826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).