(2-tert-butylpyrimidin-5-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

C14H21N3O2 — CID 43818830

IUPAC(2-tert-butylpyrimidin-5-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCC(C)(C)c1ncc(C(=O)N2CCC(CO)C2)cn1
InChIInChI=1S/C14H21N3O2/c1-14(2,3)13-15-6-11(7-16-13)12(19)17-5-4-10(8-17)9-18/h6-7,10,18H,4-5,8-9H2,1-3H3
InChIKeyIMKLQBCDPOTJBA-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.23
Rot. Bonds2

About (2-tert-butylpyrimidin-5-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

(2-tert-butylpyrimidin-5-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 43818830) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2-tert-butylpyrimidin-5-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-tert-butylpyrimidin-5-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID43818830
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(2-tert-butylpyrimidin-5-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCC(C)(C)c1ncc(C(=O)N2CCC(CO)C2)cn1
InChIInChI=1S/C14H21N3O2/c1-14(2,3)13-15-6-11(7-16-13)12(19)17-5-4-10(8-17)9-18/h6-7,10,18H,4-5,8-9H2,1-3H3
InChIKeyIMKLQBCDPOTJBA-UHFFFAOYSA-N
XLogP1.23
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-tert-butylpyrimidin-5-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylpyrimidin-5-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-tert-butylpyrimidin-5-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 43818830) is (2-tert-butylpyrimidin-5-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-tert-butylpyrimidin-5-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-tert-butylpyrimidin-5-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is CC(C)(C)c1ncc(C(=O)N2CCC(CO)C2)cn1.
What is the InChIKey of (2-tert-butylpyrimidin-5-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is IMKLQBCDPOTJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,3)13-15-6-11(7-16-13)12(19)17-5-4-10(8-17)9-18/h6-7,10,18H,4-5,8-9H2,1-3H3.
What are the key properties of (2-tert-butylpyrimidin-5-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(2-tert-butylpyrimidin-5-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 263.34 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylpyrimidin-5-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 43818830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).