6-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]-4-methoxy-1H-pyrimidin-2-one

C20H28N4O4 — CID 68844014

IUPAC6-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]-4-methoxy-1H-pyrimidin-2-one
SMILESCCOc1cc(CN(c2cc(OC)nc(=O)[nH]2)C2CCNCC2)ccc1OC
InChIInChI=1S/C20H28N4O4/c1-4-28-17-11-14(5-6-16(17)26-2)13-24(15-7-9-21-10-8-15)18-12-19(27-3)23-20(25)22-18/h5-6,11-12,15,21H,4,7-10,13H2,1-3H3,(H,22,23,25)
InChIKeyGJZIXGWJCUVMAJ-UHFFFAOYSA-N
MW388.47 g/mol
LogP1.94
Rot. Bonds8

About 6-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]-4-methoxy-1H-pyrimidin-2-one

6-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]-4-methoxy-1H-pyrimidin-2-one (PubChem CID 68844014) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 6-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]-4-methoxy-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]-4-methoxy-1H-pyrimidin-2-one
PubChem CID68844014
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name6-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]-4-methoxy-1H-pyrimidin-2-one
SMILESCCOc1cc(CN(c2cc(OC)nc(=O)[nH]2)C2CCNCC2)ccc1OC
InChIInChI=1S/C20H28N4O4/c1-4-28-17-11-14(5-6-16(17)26-2)13-24(15-7-9-21-10-8-15)18-12-19(27-3)23-20(25)22-18/h5-6,11-12,15,21H,4,7-10,13H2,1-3H3,(H,22,23,25)
InChIKeyGJZIXGWJCUVMAJ-UHFFFAOYSA-N
XLogP1.94
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 6-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carboxylate
CID 68860852
N-[4-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]phenyl]methanesulfonamide
CID 68859636
methyl 2-[(3-ethoxy-4-methylphenyl)methyl-piperidin-4-ylamino]pyrimidine-4-carboxylate
CID 69152008
4-[2-[(3-ethoxy-4-hydroxyphenyl)methyl-piperidin-4-ylamino]pyrimidin-5-yl]benzamide
CID 69151958
1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine
CID 142063671
2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl-piperidin-4-ylamino]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide
CID 69458749
N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118917
3-ethoxy-4-methoxy-N-(piperidin-4-ylmethyl)aniline
CID 79708094
tert-butyl N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate
CID 158787705
N-[[2-(2-ethylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine
CID 142218031
3-(3-ethoxy-4-methoxyphenyl)pyrrolidine
CID 116989297
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136741427

Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]-4-methoxy-1H-pyrimidin-2-one?
The IUPAC name of 6-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]-4-methoxy-1H-pyrimidin-2-one (CID 68844014) is 6-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]-4-methoxy-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]-4-methoxy-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]-4-methoxy-1H-pyrimidin-2-one is CCOc1cc(CN(c2cc(OC)nc(=O)[nH]2)C2CCNCC2)ccc1OC.
What is the InChIKey of 6-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]-4-methoxy-1H-pyrimidin-2-one?
The InChIKey is GJZIXGWJCUVMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-4-28-17-11-14(5-6-16(17)26-2)13-24(15-7-9-21-10-8-15)18-12-19(27-3)23-20(25)22-18/h5-6,11-12,15,21H,4,7-10,13H2,1-3H3,(H,22,23,25).
What are the key properties of 6-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]-4-methoxy-1H-pyrimidin-2-one?
6-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]-4-methoxy-1H-pyrimidin-2-one has a molecular weight of 388.47 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]-4-methoxy-1H-pyrimidin-2-one is sourced from PubChem (CID 68844014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).