[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone

C18H22N4O2 — CID 109341646

IUPAC[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(CNc2cc(C(=O)N3CCCCC3)ncn2)cc1
InChIInChI=1S/C18H22N4O2/c1-24-15-7-5-14(6-8-15)12-19-17-11-16(20-13-21-17)18(23)22-9-3-2-4-10-22/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,19,20,21)
InChIKeyRQZCHQLDKPPJMS-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.72
Rot. Bonds5

About [6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone

[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 109341646) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is [6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
PubChem CID109341646
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(CNc2cc(C(=O)N3CCCCC3)ncn2)cc1
InChIInChI=1S/C18H22N4O2/c1-24-15-7-5-14(6-8-15)12-19-17-11-16(20-13-21-17)18(23)22-9-3-2-4-10-22/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,19,20,21)
InChIKeyRQZCHQLDKPPJMS-UHFFFAOYSA-N
XLogP2.72
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346002
[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341642
azepan-1-yl-[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]methanone
CID 109348696
[5-[(4-methoxyphenyl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273528
[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112649
[2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322458
[6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341636
[4-(4-methoxyphenyl)piperazin-1-yl]-[6-(2-methylpropylamino)pyrimidin-4-yl]methanone
CID 109340279
[6-(3-methoxypropylamino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341012
1-[4-[2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169022
N-[(4-chlorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348753
[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109343536

Frequently Asked Questions

What is the IUPAC name of [6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone (CID 109341646) is [6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone is COc1ccc(CNc2cc(C(=O)N3CCCCC3)ncn2)cc1.
What is the InChIKey of [6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is RQZCHQLDKPPJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-24-15-7-5-14(6-8-15)12-19-17-11-16(20-13-21-17)18(23)22-9-3-2-4-10-22/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,19,20,21).
What are the key properties of [6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone?
[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 326.40 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109341646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).