2-ethyl-5-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]pyrimidine

C19H25N3O2 — CID 56912860

IUPAC2-ethyl-5-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]pyrimidine
SMILESCCc1ncc(CN2CCC(Oc3ccccc3OC)CC2)cn1
InChIInChI=1S/C19H25N3O2/c1-3-19-20-12-15(13-21-19)14-22-10-8-16(9-11-22)24-18-7-5-4-6-17(18)23-2/h4-7,12-13,16H,3,8-11,14H2,1-2H3
InChIKeyKKDRFXPWELOQNC-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.09
Rot. Bonds6

About 2-ethyl-5-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]pyrimidine

2-ethyl-5-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]pyrimidine (PubChem CID 56912860) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-ethyl-5-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-ethyl-5-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]pyrimidine
PubChem CID56912860
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-ethyl-5-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]pyrimidine
SMILESCCc1ncc(CN2CCC(Oc3ccccc3OC)CC2)cn1
InChIInChI=1S/C19H25N3O2/c1-3-19-20-12-15(13-21-19)14-22-10-8-16(9-11-22)24-18-7-5-4-6-17(18)23-2/h4-7,12-13,16H,3,8-11,14H2,1-2H3
InChIKeyKKDRFXPWELOQNC-UHFFFAOYSA-N
XLogP3.09
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-Pyrimidinediamine, 5-((4-ethoxy-3-methoxyphenyl)methyl)-
CID 463109
2,4-Pyrimidinediamine, 5-((3-methoxy-4-(phenylmethoxy)phenyl)methyl)-
CID 463124
5-[[4-Methoxy-3-(phenylmethoxy)phenyl]methyl]-2,4-pyrimidinediamine
CID 11450525
2,4-Pyrimidinediamine, 5-((3-methoxy-4-(2-propenyloxy)phenyl)methyl)-
CID 3078601
5-(4-(Benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-diamine
CID 11046337
5-[[3-Ethoxy-4-(3-phenylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine
CID 11234309
2-[4-(3-Ethoxy-4-methoxybenzyl)-1-piperazinyl]pyrimidine
CID 1206031
2-[4-(2,3-Dimethoxybenzyl)-1-piperazinyl]pyrimidine
CID 3504101
5-[(4-Methoxy-3-propoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 11289209
5-[[3-Methoxy-4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine
CID 14999859
2,4-Pyrimidinediamine, 5-((4-butoxy-3-methoxyphenyl)methyl)-
CID 463111
5-[[3-Methoxy-4-(3-phenylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine
CID 463126

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-ethyl-5-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]pyrimidine (CID 56912860) is 2-ethyl-5-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-ethyl-5-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-ethyl-5-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]pyrimidine is CCc1ncc(CN2CCC(Oc3ccccc3OC)CC2)cn1.
What is the InChIKey of 2-ethyl-5-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]pyrimidine?
The InChIKey is KKDRFXPWELOQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-19-20-12-15(13-21-19)14-22-10-8-16(9-11-22)24-18-7-5-4-6-17(18)23-2/h4-7,12-13,16H,3,8-11,14H2,1-2H3.
What are the key properties of 2-ethyl-5-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]pyrimidine?
2-ethyl-5-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]pyrimidine has a molecular weight of 327.43 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 56912860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).