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

C19H25N5O2 — CID 112914977

IUPAC1-[4-[4-[(4-methoxyphenyl)methylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
SMILESCOc1ccc(CNc2cc(C)nc(N3CCN(C(C)=O)CC3)n2)cc1
InChIInChI=1S/C19H25N5O2/c1-14-12-18(20-13-16-4-6-17(26-3)7-5-16)22-19(21-14)24-10-8-23(9-11-24)15(2)25/h4-7,12H,8-11,13H2,1-3H3,(H,20,21,22)
InChIKeyMICPHWNQSIQPBL-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.07
Rot. Bonds5

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

1-[4-[4-[(4-methoxyphenyl)methylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone (PubChem CID 112914977) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[4-[4-[(4-methoxyphenyl)methylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(4-methoxyphenyl)methylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
PubChem CID112914977
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-[4-[4-[(4-methoxyphenyl)methylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
SMILESCOc1ccc(CNc2cc(C)nc(N3CCN(C(C)=O)CC3)n2)cc1
InChIInChI=1S/C19H25N5O2/c1-14-12-18(20-13-16-4-6-17(26-3)7-5-16)22-19(21-14)24-10-8-23(9-11-24)15(2)25/h4-7,12H,8-11,13H2,1-3H3,(H,20,21,22)
InChIKeyMICPHWNQSIQPBL-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

1-[4-[4-[(4-fluorophenyl)methylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112914973
1-[4-[4-[(4-chlorophenyl)methylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112914975
1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 122346111
ethyl 4-[4-methyl-6-(pyridin-4-ylmethylamino)pyrimidin-2-yl]piperazine-1-carboxylate
CID 112919741
1-[4-[4-methyl-6-(2-phenylethylamino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112914983
1-[4-[4-methyl-6-(prop-2-enylamino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112907704
1-[4-[4-(4-ethylanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112915036
1-[4-[4-(tert-butylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112915012
2-(4-fluorophenyl)-1-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 121031968
1-[4-[2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169022
1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346002
1-[4-[5-[(4-methylphenyl)methylamino]-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947004

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(4-methoxyphenyl)methylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[(4-methoxyphenyl)methylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone (CID 112914977) is 1-[4-[4-[(4-methoxyphenyl)methylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[(4-methoxyphenyl)methylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[(4-methoxyphenyl)methylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone is COc1ccc(CNc2cc(C)nc(N3CCN(C(C)=O)CC3)n2)cc1.
What is the InChIKey of 1-[4-[4-[(4-methoxyphenyl)methylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is MICPHWNQSIQPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14-12-18(20-13-16-4-6-17(26-3)7-5-16)22-19(21-14)24-10-8-23(9-11-24)15(2)25/h4-7,12H,8-11,13H2,1-3H3,(H,20,21,22).
What are the key properties of 1-[4-[4-[(4-methoxyphenyl)methylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone?
1-[4-[4-[(4-methoxyphenyl)methylamino]-6-methylpyrimidin-2-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-[4-[(4-methoxyphenyl)methylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 112914977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).