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

C14H22N4O2 — CID 99764365

IUPAC(3R)-3-(2-hydroxyethyl)-N-propan-2-yl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)[C@@]1(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)/t14-/m1/s1
InChIKeyDGKZAUQTIFHOLS-CQSZACIVSA-N
MW278.36 g/mol
LogP0.58
Rot. Bonds5

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

(3R)-3-(2-hydroxyethyl)-N-propan-2-yl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide (PubChem CID 99764365) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (3R)-3-(2-hydroxyethyl)-N-propan-2-yl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-3-(2-hydroxyethyl)-N-propan-2-yl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
PubChem CID99764365
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name(3R)-3-(2-hydroxyethyl)-N-propan-2-yl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)[C@@]1(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)/t14-/m1/s1
InChIKeyDGKZAUQTIFHOLS-CQSZACIVSA-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 (3R)-3-(2-hydroxyethyl)-N-propan-2-yl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-3-(2-hydroxyethyl)-N-propan-2-yl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide (CID 99764365) is (3R)-3-(2-hydroxyethyl)-N-propan-2-yl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-3-(2-hydroxyethyl)-N-propan-2-yl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-3-(2-hydroxyethyl)-N-propan-2-yl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide is CC(C)NC(=O)[C@@]1(CCO)CCN(c2ncccn2)C1.
What is the InChIKey of (3R)-3-(2-hydroxyethyl)-N-propan-2-yl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The InChIKey is DGKZAUQTIFHOLS-CQSZACIVSA-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)/t14-/m1/s1.
What are the key properties of (3R)-3-(2-hydroxyethyl)-N-propan-2-yl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
(3R)-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 (3R)-3-(2-hydroxyethyl)-N-propan-2-yl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 99764365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).