methyl 2-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]amino]-6-methylpyrimidine-4-carboxylate

C20H26N4O3 — CID 70730726

IUPACmethyl 2-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]amino]-6-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(NC2CCCN(Cc3cccc(OC)c3)C2)n1
InChIInChI=1S/C20H26N4O3/c1-14-10-18(19(25)27-3)23-20(21-14)22-16-7-5-9-24(13-16)12-15-6-4-8-17(11-15)26-2/h4,6,8,10-11,16H,5,7,9,12-13H2,1-3H3,(H,21,22,23)
InChIKeyQKMMVMPGQCYEGS-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.66
Rot. Bonds6

About methyl 2-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]amino]-6-methylpyrimidine-4-carboxylate

methyl 2-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]amino]-6-methylpyrimidine-4-carboxylate (PubChem CID 70730726) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is methyl 2-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]amino]-6-methylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]amino]-6-methylpyrimidine-4-carboxylate
PubChem CID70730726
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Namemethyl 2-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]amino]-6-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(NC2CCCN(Cc3cccc(OC)c3)C2)n1
InChIInChI=1S/C20H26N4O3/c1-14-10-18(19(25)27-3)23-20(21-14)22-16-7-5-9-24(13-16)12-15-6-4-8-17(11-15)26-2/h4,6,8,10-11,16H,5,7,9,12-13H2,1-3H3,(H,21,22,23)
InChIKeyQKMMVMPGQCYEGS-UHFFFAOYSA-N
XLogP2.66
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]amino]-6-methylpyrimidine-4-carboxylate with MolForge

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Related Compounds

N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 25374475
2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide
CID 25449017
N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 56902955
N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide
CID 95708462
azepan-1-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3796866
1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 61029194
N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 45187769
3-(bromomethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 80679418
1-cyclopentyl-3-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]urea
CID 134802563
1-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine
CID 63852701
tert-butyl N-[[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]carbamate
CID 83980997
N-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
CID 110228739

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]amino]-6-methylpyrimidine-4-carboxylate?
The IUPAC name of methyl 2-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]amino]-6-methylpyrimidine-4-carboxylate (CID 70730726) is methyl 2-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]amino]-6-methylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]amino]-6-methylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]amino]-6-methylpyrimidine-4-carboxylate is COC(=O)c1cc(C)nc(NC2CCCN(Cc3cccc(OC)c3)C2)n1.
What is the InChIKey of methyl 2-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]amino]-6-methylpyrimidine-4-carboxylate?
The InChIKey is QKMMVMPGQCYEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14-10-18(19(25)27-3)23-20(21-14)22-16-7-5-9-24(13-16)12-15-6-4-8-17(11-15)26-2/h4,6,8,10-11,16H,5,7,9,12-13H2,1-3H3,(H,21,22,23).
What are the key properties of methyl 2-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]amino]-6-methylpyrimidine-4-carboxylate?
methyl 2-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]amino]-6-methylpyrimidine-4-carboxylate has a molecular weight of 370.45 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]amino]-6-methylpyrimidine-4-carboxylate is sourced from PubChem (CID 70730726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).