2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide

C12H19N5O2 — CID 142706032

IUPAC2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide
SMILESCOCCN1CCN(c2ncc(C(N)=O)cn2)CC1
InChIInChI=1S/C12H19N5O2/c1-19-7-6-16-2-4-17(5-3-16)12-14-8-10(9-15-12)11(13)18/h8-9H,2-7H2,1H3,(H2,13,18)
InChIKeyYRQPOGAVIQMAST-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.66
Rot. Bonds5

About 2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide

2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide (PubChem CID 142706032) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide
PubChem CID142706032
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide
SMILESCOCCN1CCN(c2ncc(C(N)=O)cn2)CC1
InChIInChI=1S/C12H19N5O2/c1-19-7-6-16-2-4-17(5-3-16)12-14-8-10(9-15-12)11(13)18/h8-9H,2-7H2,1H3,(H2,13,18)
InChIKeyYRQPOGAVIQMAST-UHFFFAOYSA-N
XLogP-0.66
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-methoxyethyl)piperazin-1-yl]benzamide
CID 91343454
2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine
CID 171069544
methyl 3-[4-(5-iodopyrimidin-2-yl)piperazin-1-yl]propanoate
CID 104843535
ethyl 2-[4-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethyl]piperazin-1-yl]pyrimidine-5-carboxylate
CID 146223686
ethyl 2-[4-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethoxy]ethyl]piperazin-1-yl]pyrimidine-5-carboxylate
CID 146223682
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-carboxamide
CID 15788033
5-[4-(2-methoxyethyl)piperazin-1-yl]pyridin-2-amine
CID 43461954
[4-(2-methoxyethyl)piperazin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone
CID 72900903
N-(3-methoxypropyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250092
4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzamide
CID 30737845
2-[4-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl N-methylcarbamate
CID 155272571
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one
CID 118909812

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide (CID 142706032) is 2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide is COCCN1CCN(c2ncc(C(N)=O)cn2)CC1.
What is the InChIKey of 2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is YRQPOGAVIQMAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-19-7-6-16-2-4-17(5-3-16)12-14-8-10(9-15-12)11(13)18/h8-9H,2-7H2,1H3,(H2,13,18).
What are the key properties of 2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide?
2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 265.32 g/mol, XLogP of -0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 142706032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).