N-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-6-oxo-1H-pyrimidin-2-yl]imidazole-1-carboxamide

C16H23N5O6 — CID 135733648

IUPACN-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-6-oxo-1H-pyrimidin-2-yl]imidazole-1-carboxamide
SMILESCOCCOCCOCCOCc1cc(=O)[nH]c(NC(=O)n2ccnc2)n1
InChIInChI=1S/C16H23N5O6/c1-24-4-5-25-6-7-26-8-9-27-11-13-10-14(22)19-15(18-13)20-16(23)21-3-2-17-12-21/h2-3,10,12H,4-9,11H2,1H3,(H2,18,19,20,22,23)
InChIKeyJHBHDBPIPKSAED-UHFFFAOYSA-N
MW381.39 g/mol
LogP0.24
Rot. Bonds12

About N-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-6-oxo-1H-pyrimidin-2-yl]imidazole-1-carboxamide

N-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-6-oxo-1H-pyrimidin-2-yl]imidazole-1-carboxamide (PubChem CID 135733648) has the molecular formula C16H23N5O6 and a molecular weight of 381.39 g/mol. Its IUPAC name is N-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-6-oxo-1H-pyrimidin-2-yl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-6-oxo-1H-pyrimidin-2-yl]imidazole-1-carboxamide
PubChem CID135733648
Molecular FormulaC16H23N5O6
Molecular Weight381.39 g/mol
Exact Mass381.16
IUPAC NameN-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-6-oxo-1H-pyrimidin-2-yl]imidazole-1-carboxamide
SMILESCOCCOCCOCCOCc1cc(=O)[nH]c(NC(=O)n2ccnc2)n1
InChIInChI=1S/C16H23N5O6/c1-24-4-5-25-6-7-26-8-9-27-11-13-10-14(22)19-15(18-13)20-16(23)21-3-2-17-12-21/h2-3,10,12H,4-9,11H2,1H3,(H2,18,19,20,22,23)
InChIKeyJHBHDBPIPKSAED-UHFFFAOYSA-N
XLogP0.24
TPSA129.59 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(hydroxymethyl)-4-(2-methoxyethoxymethyl)-1H-pyrimidin-6-one
CID 136842569
N-[1-(2-methoxyethyl)pyrazol-4-yl]imidazole-1-carboxamide
CID 81257970
N-(5-bromo-1-methylpyrazol-3-yl)imidazole-1-carboxamide
CID 58213393
2-(2-hydroxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 135631209
4-(2-methoxyethoxymethyl)-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one
CID 146081610
N-[3-[(2-methoxyacetyl)amino]phenyl]imidazole-1-carboxamide
CID 81257160
ditert-butyl (2S)-2-aminooctanedioate;ditert-butyl (2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]octanedioate;N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-1-carboxamide
CID 158159694
N-(3-fluoro-4-methoxyphenyl)imidazole-1-carboxamide
CID 81257589
2-methoxyethyl imidazole-1-carboxylate
CID 10583275
methyl 2-(imidazole-1-carbonylamino)-1,3-benzothiazole-6-carboxylate
CID 130411006
N-[3-bromo-2-(methoxymethyl)phenyl]imidazole-1-carboxamide
CID 81268306
N-(4-chloro-2-methoxyphenyl)imidazole-1-carboxamide
CID 3468883

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-6-oxo-1H-pyrimidin-2-yl]imidazole-1-carboxamide?
The IUPAC name of N-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-6-oxo-1H-pyrimidin-2-yl]imidazole-1-carboxamide (CID 135733648) is N-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-6-oxo-1H-pyrimidin-2-yl]imidazole-1-carboxamide.
What is the SMILES notation for N-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-6-oxo-1H-pyrimidin-2-yl]imidazole-1-carboxamide?
The canonical SMILES for N-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-6-oxo-1H-pyrimidin-2-yl]imidazole-1-carboxamide is COCCOCCOCCOCc1cc(=O)[nH]c(NC(=O)n2ccnc2)n1.
What is the InChIKey of N-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-6-oxo-1H-pyrimidin-2-yl]imidazole-1-carboxamide?
The InChIKey is JHBHDBPIPKSAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O6/c1-24-4-5-25-6-7-26-8-9-27-11-13-10-14(22)19-15(18-13)20-16(23)21-3-2-17-12-21/h2-3,10,12H,4-9,11H2,1H3,(H2,18,19,20,22,23).
What are the key properties of N-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-6-oxo-1H-pyrimidin-2-yl]imidazole-1-carboxamide?
N-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-6-oxo-1H-pyrimidin-2-yl]imidazole-1-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 0.24, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-6-oxo-1H-pyrimidin-2-yl]imidazole-1-carboxamide is sourced from PubChem (CID 135733648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).