4-morpholin-4-yl-6-propan-2-ylpyrimidine-2-carbaldehyde

C12H17N3O2 — CID 83896564

IUPAC4-morpholin-4-yl-6-propan-2-ylpyrimidine-2-carbaldehyde
SMILESCC(C)c1cc(N2CCOCC2)nc(C=O)n1
InChIInChI=1S/C12H17N3O2/c1-9(2)10-7-12(14-11(8-16)13-10)15-3-5-17-6-4-15/h7-9H,3-6H2,1-2H3
InChIKeyFQLLOJKBVRBXTG-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.25
Rot. Bonds3

About 4-morpholin-4-yl-6-propan-2-ylpyrimidine-2-carbaldehyde

4-morpholin-4-yl-6-propan-2-ylpyrimidine-2-carbaldehyde (PubChem CID 83896564) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-morpholin-4-yl-6-propan-2-ylpyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name4-morpholin-4-yl-6-propan-2-ylpyrimidine-2-carbaldehyde
PubChem CID83896564
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-morpholin-4-yl-6-propan-2-ylpyrimidine-2-carbaldehyde
SMILESCC(C)c1cc(N2CCOCC2)nc(C=O)n1
InChIInChI=1S/C12H17N3O2/c1-9(2)10-7-12(14-11(8-16)13-10)15-3-5-17-6-4-15/h7-9H,3-6H2,1-2H3
InChIKeyFQLLOJKBVRBXTG-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-(6-propan-2-yl-2-pyridinyl)morpholine
CID 177361862
9-[2,6-di(propan-2-yl)pyrimidin-4-yl]-3-oxa-9-azaspiro[5.5]undecane
CID 131963146
4-[4-(2-methylpropyl)-6-morpholin-4-yl-2-pyridinyl]morpholine
CID 59292396
2-methyl-6-morpholin-4-ylpyridine-3-carbaldehyde
CID 102544177
2-methyl-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 135592113
2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carbonitrile
CID 39248129
N,4-dimethyl-6-morpholin-4-ylpyridin-2-amine;ethane
CID 177153014
2-(1-aminoethyl)-3-methyl-6-morpholin-4-ylpyrimidin-4-one
CID 84700722
ethane;4-(6-fluoro-4-methyl-2-pyridinyl)morpholine
CID 155700248
4-[[2,6-di(propan-2-yl)pyrimidin-4-yl]methyl]morpholine
CID 138579238
4-ethoxy-6-propan-2-ylpyrimidine-2-carbaldehyde
CID 83878852
4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine
CID 112869889

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-6-propan-2-ylpyrimidine-2-carbaldehyde?
The IUPAC name of 4-morpholin-4-yl-6-propan-2-ylpyrimidine-2-carbaldehyde (CID 83896564) is 4-morpholin-4-yl-6-propan-2-ylpyrimidine-2-carbaldehyde.
What is the SMILES notation for 4-morpholin-4-yl-6-propan-2-ylpyrimidine-2-carbaldehyde?
The canonical SMILES for 4-morpholin-4-yl-6-propan-2-ylpyrimidine-2-carbaldehyde is CC(C)c1cc(N2CCOCC2)nc(C=O)n1.
What is the InChIKey of 4-morpholin-4-yl-6-propan-2-ylpyrimidine-2-carbaldehyde?
The InChIKey is FQLLOJKBVRBXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9(2)10-7-12(14-11(8-16)13-10)15-3-5-17-6-4-15/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-morpholin-4-yl-6-propan-2-ylpyrimidine-2-carbaldehyde?
4-morpholin-4-yl-6-propan-2-ylpyrimidine-2-carbaldehyde has a molecular weight of 235.29 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-6-propan-2-ylpyrimidine-2-carbaldehyde is sourced from PubChem (CID 83896564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).