3-(2-hydroxyethyl)-N-propan-2-yl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide

C14H22N4O2 — CID 91911490

IUPAC3-(2-hydroxyethyl)-N-propan-2-yl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)C1(CCO)CCN(c2ncccn2)C1
InChIInChI=1S/C14H22N4O2/c1-11(2)17-12(20)14(5-9-19)4-8-18(10-14)13-15-6-3-7-16-13/h3,6-7,11,19H,4-5,8-10H2,1-2H3,(H,17,20)
InChIKeyDGKZAUQTIFHOLS-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.58
Rot. Bonds5

About 3-(2-hydroxyethyl)-N-propan-2-yl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide

3-(2-hydroxyethyl)-N-propan-2-yl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide (PubChem CID 91911490) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-N-propan-2-yl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-N-propan-2-yl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
PubChem CID91911490
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-(2-hydroxyethyl)-N-propan-2-yl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)C1(CCO)CCN(c2ncccn2)C1
InChIInChI=1S/C14H22N4O2/c1-11(2)17-12(20)14(5-9-19)4-8-18(10-14)13-15-6-3-7-16-13/h3,6-7,11,19H,4-5,8-10H2,1-2H3,(H,17,20)
InChIKeyDGKZAUQTIFHOLS-UHFFFAOYSA-N
XLogP0.58
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-N-propan-2-yl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 3-(2-hydroxyethyl)-N-propan-2-yl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide (CID 91911490) is 3-(2-hydroxyethyl)-N-propan-2-yl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 3-(2-hydroxyethyl)-N-propan-2-yl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 3-(2-hydroxyethyl)-N-propan-2-yl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide is CC(C)NC(=O)C1(CCO)CCN(c2ncccn2)C1.
What is the InChIKey of 3-(2-hydroxyethyl)-N-propan-2-yl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The InChIKey is DGKZAUQTIFHOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11(2)17-12(20)14(5-9-19)4-8-18(10-14)13-15-6-3-7-16-13/h3,6-7,11,19H,4-5,8-10H2,1-2H3,(H,17,20).
What are the key properties of 3-(2-hydroxyethyl)-N-propan-2-yl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
3-(2-hydroxyethyl)-N-propan-2-yl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-N-propan-2-yl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 91911490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).