2-methoxy-5-[[4-(pyridin-4-ylmethyl)piperidin-1-yl]methyl]pyrimidine

C17H22N4O — CID 110102779

IUPAC2-methoxy-5-[[4-(pyridin-4-ylmethyl)piperidin-1-yl]methyl]pyrimidine
SMILESCOc1ncc(CN2CCC(Cc3ccncc3)CC2)cn1
InChIInChI=1S/C17H22N4O/c1-22-17-19-11-16(12-20-17)13-21-8-4-15(5-9-21)10-14-2-6-18-7-3-14/h2-3,6-7,11-12,15H,4-5,8-10,13H2,1H3
InChIKeyHSFRAQBQDUXNEE-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.33
Rot. Bonds5

About 2-methoxy-5-[[4-(pyridin-4-ylmethyl)piperidin-1-yl]methyl]pyrimidine

2-methoxy-5-[[4-(pyridin-4-ylmethyl)piperidin-1-yl]methyl]pyrimidine (PubChem CID 110102779) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-methoxy-5-[[4-(pyridin-4-ylmethyl)piperidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-methoxy-5-[[4-(pyridin-4-ylmethyl)piperidin-1-yl]methyl]pyrimidine
PubChem CID110102779
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-methoxy-5-[[4-(pyridin-4-ylmethyl)piperidin-1-yl]methyl]pyrimidine
SMILESCOc1ncc(CN2CCC(Cc3ccncc3)CC2)cn1
InChIInChI=1S/C17H22N4O/c1-22-17-19-11-16(12-20-17)13-21-8-4-15(5-9-21)10-14-2-6-18-7-3-14/h2-3,6-7,11-12,15H,4-5,8-10,13H2,1H3
InChIKeyHSFRAQBQDUXNEE-UHFFFAOYSA-N
XLogP2.33
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

trifluoro-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]boranuide
CID 169307345
2-methoxy-5-(piperidin-1-ylmethyl)pyrimidine
CID 163258215
4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine
CID 63387556
4-[[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]quinoline
CID 110098889
4-[[(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]quinoline
CID 125012653
2-methyl-3-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyrazine
CID 165434594
1-[(2-methoxypyrimidin-5-yl)methyl]-4-(pyridin-2-ylmethyl)-1,4-diazepane
CID 131901461
2-methoxy-5-[[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 95846033
3-fluoro-N-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 175659254
4-[[4-[(4-propan-2-ylphenoxy)methyl]piperidin-1-yl]methyl]pyridine
CID 59734548
4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 765092
2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyridine
CID 166602497

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[4-(pyridin-4-ylmethyl)piperidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-methoxy-5-[[4-(pyridin-4-ylmethyl)piperidin-1-yl]methyl]pyrimidine (CID 110102779) is 2-methoxy-5-[[4-(pyridin-4-ylmethyl)piperidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-methoxy-5-[[4-(pyridin-4-ylmethyl)piperidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-methoxy-5-[[4-(pyridin-4-ylmethyl)piperidin-1-yl]methyl]pyrimidine is COc1ncc(CN2CCC(Cc3ccncc3)CC2)cn1.
What is the InChIKey of 2-methoxy-5-[[4-(pyridin-4-ylmethyl)piperidin-1-yl]methyl]pyrimidine?
The InChIKey is HSFRAQBQDUXNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-22-17-19-11-16(12-20-17)13-21-8-4-15(5-9-21)10-14-2-6-18-7-3-14/h2-3,6-7,11-12,15H,4-5,8-10,13H2,1H3.
What are the key properties of 2-methoxy-5-[[4-(pyridin-4-ylmethyl)piperidin-1-yl]methyl]pyrimidine?
2-methoxy-5-[[4-(pyridin-4-ylmethyl)piperidin-1-yl]methyl]pyrimidine has a molecular weight of 298.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[4-(pyridin-4-ylmethyl)piperidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 110102779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).