4-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrimidine-5-carboxamide

C14H23N3O2 — CID 71910600

IUPAC4-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrimidine-5-carboxamide
SMILESCCc1ncncc1C(=O)NCC(CC)(CC)CO
InChIInChI=1S/C14H23N3O2/c1-4-12-11(7-15-10-17-12)13(19)16-8-14(5-2,6-3)9-18/h7,10,18H,4-6,8-9H2,1-3H3,(H,16,19)
InChIKeyOZVVEQLYBAJJDE-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.57
Rot. Bonds7

About 4-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrimidine-5-carboxamide

4-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrimidine-5-carboxamide (PubChem CID 71910600) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrimidine-5-carboxamide
PubChem CID71910600
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrimidine-5-carboxamide
SMILESCCc1ncncc1C(=O)NCC(CC)(CC)CO
InChIInChI=1S/C14H23N3O2/c1-4-12-11(7-15-10-17-12)13(19)16-8-14(5-2,6-3)9-18/h7,10,18H,4-6,8-9H2,1-3H3,(H,16,19)
InChIKeyOZVVEQLYBAJJDE-UHFFFAOYSA-N
XLogP1.57
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)ethyl]-4-propan-2-ylpyrimidine-5-carboxamide
CID 53502292
N-[2-(3-methylpiperidin-1-yl)ethyl]-4-propan-2-ylpyrimidine-5-carboxamide
CID 53502557
N-(2-morpholin-4-ylethyl)-4-propan-2-ylpyrimidine-5-carboxamide
CID 53505726
4-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)pyrimidine-5-carboxamide
CID 53506050
4-ethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 53506680
N-[2-(azepan-1-yl)ethyl]-4-propan-2-ylpyrimidine-5-carboxamide
CID 53527654
2-(Butylamino)-4-ethylpyrimidine-5-carboxylic acid
CID 91915927
4-ethyl-N-(2-sulfanylethyl)pyrimidine-5-carboxamide
CID 177680543
(3R*,4R*)-3,4-dimethyl-1-[(4-propyl-5-pyrimidinyl)carbonyl]-3-pyrrolidinol
CID 72906728
N-(Morpholin-2-ylmethyl)-4-propylpyrimidine-5-carboxamide
CID 74247416
N-(2-ethoxy-1,1-dimethylethyl)-4-propylpyrimidine-5-carboxamide
CID 77088387
N-[1-(trans-3-hydroxycyclobutyl)propyl]-4-propylpyrimidine-5-carboxamide
CID 91774642

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrimidine-5-carboxamide (CID 71910600) is 4-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrimidine-5-carboxamide is CCc1ncncc1C(=O)NCC(CC)(CC)CO.
What is the InChIKey of 4-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrimidine-5-carboxamide?
The InChIKey is OZVVEQLYBAJJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-12-11(7-15-10-17-12)13(19)16-8-14(5-2,6-3)9-18/h7,10,18H,4-6,8-9H2,1-3H3,(H,16,19).
What are the key properties of 4-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrimidine-5-carboxamide?
4-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrimidine-5-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 71910600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).