2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carbaldehyde

C12H17N3O2 — CID 79665806

IUPAC2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carbaldehyde
SMILESCC(C)N1CCOC(c2ncc(C=O)cn2)C1
InChIInChI=1S/C12H17N3O2/c1-9(2)15-3-4-17-11(7-15)12-13-5-10(8-16)6-14-12/h5-6,8-9,11H,3-4,7H2,1-2H3
InChIKeyYIOWKNHLYYNMJP-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.07
Rot. Bonds3

About 2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carbaldehyde

2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carbaldehyde (PubChem CID 79665806) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carbaldehyde
PubChem CID79665806
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carbaldehyde
SMILESCC(C)N1CCOC(c2ncc(C=O)cn2)C1
InChIInChI=1S/C12H17N3O2/c1-9(2)15-3-4-17-11(7-15)12-13-5-10(8-16)6-14-12/h5-6,8-9,11H,3-4,7H2,1-2H3
InChIKeyYIOWKNHLYYNMJP-UHFFFAOYSA-N
XLogP1.07
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carbaldehyde?
The IUPAC name of 2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carbaldehyde (CID 79665806) is 2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carbaldehyde is CC(C)N1CCOC(c2ncc(C=O)cn2)C1.
What is the InChIKey of 2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carbaldehyde?
The InChIKey is YIOWKNHLYYNMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9(2)15-3-4-17-11(7-15)12-13-5-10(8-16)6-14-12/h5-6,8-9,11H,3-4,7H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carbaldehyde?
2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carbaldehyde has a molecular weight of 235.29 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 79665806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).