N-(2-hydroxyethyl)-2-methylpyrimidine-4-carboxamide

C8H11N3O2 — CID 126987986

IUPACN-(2-hydroxyethyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)NCCO)n1
InChIInChI=1S/C8H11N3O2/c1-6-9-3-2-7(11-6)8(13)10-4-5-12/h2-3,12H,4-5H2,1H3,(H,10,13)
InChIKeyIJKPIZKIEDBWOL-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.49
Rot. Bonds3

About N-(2-hydroxyethyl)-2-methylpyrimidine-4-carboxamide

N-(2-hydroxyethyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 126987986) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methylpyrimidine-4-carboxamide
PubChem CID126987986
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN-(2-hydroxyethyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)NCCO)n1
InChIInChI=1S/C8H11N3O2/c1-6-9-3-2-7(11-6)8(13)10-4-5-12/h2-3,12H,4-5H2,1H3,(H,10,13)
InChIKeyIJKPIZKIEDBWOL-UHFFFAOYSA-N
XLogP-0.49
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methylpyrimidine-4-carboxamide (CID 126987986) is N-(2-hydroxyethyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methylpyrimidine-4-carboxamide is Cc1nccc(C(=O)NCCO)n1.
What is the InChIKey of N-(2-hydroxyethyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is IJKPIZKIEDBWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-6-9-3-2-7(11-6)8(13)10-4-5-12/h2-3,12H,4-5H2,1H3,(H,10,13).
What are the key properties of N-(2-hydroxyethyl)-2-methylpyrimidine-4-carboxamide?
N-(2-hydroxyethyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 181.19 g/mol, XLogP of -0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 126987986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).