2-methoxy-5-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine

C17H29N5O — CID 131893140

IUPAC2-methoxy-5-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine
SMILESCOc1ncc(CN2CCCC(CN3CCN(C)CC3)C2)cn1
InChIInChI=1S/C17H29N5O/c1-20-6-8-21(9-7-20)12-15-4-3-5-22(13-15)14-16-10-18-17(23-2)19-11-16/h10-11,15H,3-9,12-14H2,1-2H3
InChIKeyDQHNUFVINNJECY-UHFFFAOYSA-N
MW319.45 g/mol
LogP0.94
Rot. Bonds5

About 2-methoxy-5-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine

2-methoxy-5-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine (PubChem CID 131893140) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-methoxy-5-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-methoxy-5-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine
PubChem CID131893140
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name2-methoxy-5-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine
SMILESCOc1ncc(CN2CCCC(CN3CCN(C)CC3)C2)cn1
InChIInChI=1S/C17H29N5O/c1-20-6-8-21(9-7-20)12-15-4-3-5-22(13-15)14-16-10-18-17(23-2)19-11-16/h10-11,15H,3-9,12-14H2,1-2H3
InChIKeyDQHNUFVINNJECY-UHFFFAOYSA-N
XLogP0.94
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-4-[[1-[(4-phenylphenyl)methyl]piperidin-3-yl]methyl]piperazine
CID 77081012
2-methoxy-5-(piperidin-1-ylmethyl)pyrimidine
CID 163258215
2-methoxy-5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine
CID 95846027
1-[[(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]-4-methylpiperazine
CID 99929588
6-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
CID 110118608
2-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]-4-propan-2-yl-1,3-thiazole
CID 131909763
1-methyl-4-[[(3R)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]piperazine
CID 99945758
11-[(2-methoxypyrimidin-5-yl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
CID 131925926
2-methoxy-5-[(2-methylpyrrolidin-1-yl)methyl]pyrimidine
CID 169307356
(6-methoxy-3-pyridinyl)-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 90652589
5-[[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrimidin-2-amine
CID 95131163
1-methyl-4-[[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methyl]piperazine
CID 77088709

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-methoxy-5-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine (CID 131893140) is 2-methoxy-5-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-methoxy-5-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-methoxy-5-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine is COc1ncc(CN2CCCC(CN3CCN(C)CC3)C2)cn1.
What is the InChIKey of 2-methoxy-5-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine?
The InChIKey is DQHNUFVINNJECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-20-6-8-21(9-7-20)12-15-4-3-5-22(13-15)14-16-10-18-17(23-2)19-11-16/h10-11,15H,3-9,12-14H2,1-2H3.
What are the key properties of 2-methoxy-5-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine?
2-methoxy-5-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine has a molecular weight of 319.45 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 131893140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).