N-(2-hydroxyethyl)-2H-pyrimidine-1-carboxamide

C7H11N3O2 — CID 158640583

IUPACN-(2-hydroxyethyl)-2H-pyrimidine-1-carboxamide
SMILESO=C(NCCO)N1C=CC=NC1
InChIInChI=1S/C7H11N3O2/c11-5-3-9-7(12)10-4-1-2-8-6-10/h1-2,4,11H,3,5-6H2,(H,9,12)
InChIKeyIAIDVZNTXSJHKZ-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.45
Rot. Bonds2

About N-(2-hydroxyethyl)-2H-pyrimidine-1-carboxamide

N-(2-hydroxyethyl)-2H-pyrimidine-1-carboxamide (PubChem CID 158640583) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2H-pyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2H-pyrimidine-1-carboxamide
PubChem CID158640583
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC NameN-(2-hydroxyethyl)-2H-pyrimidine-1-carboxamide
SMILESO=C(NCCO)N1C=CC=NC1
InChIInChI=1S/C7H11N3O2/c11-5-3-9-7(12)10-4-1-2-8-6-10/h1-2,4,11H,3,5-6H2,(H,9,12)
InChIKeyIAIDVZNTXSJHKZ-UHFFFAOYSA-N
XLogP-0.45
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2(1H)-Pyrimidinone, 4-[(2-hydroxyethyl)amino]-
CID 585945
1-(2-Hydroxyethyl)-2-pyrimidinone
CID 43509828
3-(2-Hydroxyethyl) cytosine
CID 129723275
6-Amino-1-(2-hydroxyethyl)pyrimidin-2-one
CID 56977468
N-(2-methoxyethyl)-2H-pyrimidine-1-carboxamide
CID 69721046
3-(2-Hydroxyethyl)-1,6-dihydropyrimidin-2-one
CID 118952499
5-amino-N-(2-hydroxyethyl)-2H-pyrimidine-1-carboxamide
CID 142719201
ethanol;1H-pyrimidin-2-one
CID 158730411
2-amino-2-(2H-pyrimidin-1-yl)ethanol
CID 174708739
2-(2-hydroxyethylamino)-2-(2H-pyrimidin-1-yl)ethanol
CID 174968309
1-(2-hydroxyethylamino)-1-(2H-pyrimidin-1-yl)ethanol
CID 175233948
ethanol;2H-pyrimidine-1-carboxamide
CID 175306059

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2H-pyrimidine-1-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2H-pyrimidine-1-carboxamide (CID 158640583) is N-(2-hydroxyethyl)-2H-pyrimidine-1-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2H-pyrimidine-1-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2H-pyrimidine-1-carboxamide is O=C(NCCO)N1C=CC=NC1.
What is the InChIKey of N-(2-hydroxyethyl)-2H-pyrimidine-1-carboxamide?
The InChIKey is IAIDVZNTXSJHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c11-5-3-9-7(12)10-4-1-2-8-6-10/h1-2,4,11H,3,5-6H2,(H,9,12).
What are the key properties of N-(2-hydroxyethyl)-2H-pyrimidine-1-carboxamide?
N-(2-hydroxyethyl)-2H-pyrimidine-1-carboxamide has a molecular weight of 169.18 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2H-pyrimidine-1-carboxamide is sourced from PubChem (CID 158640583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).