2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carbaldehyde

C10H15N3O — CID 83878437

IUPAC2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carbaldehyde
SMILESCC(C)c1nc(N(C)C)ncc1C=O
InChIInChI=1S/C10H15N3O/c1-7(2)9-8(6-14)5-11-10(12-9)13(3)4/h5-7H,1-4H3
InChIKeyILOGECLXQORROI-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.48
Rot. Bonds3

About 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carbaldehyde

2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carbaldehyde (PubChem CID 83878437) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carbaldehyde
PubChem CID83878437
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carbaldehyde
SMILESCC(C)c1nc(N(C)C)ncc1C=O
InChIInChI=1S/C10H15N3O/c1-7(2)9-8(6-14)5-11-10(12-9)13(3)4/h5-7H,1-4H3
InChIKeyILOGECLXQORROI-UHFFFAOYSA-N
XLogP1.48
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(dimethylamino)-4-propan-2-ylpyrimidine-5-carbaldehyde?
The IUPAC name of 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carbaldehyde (CID 83878437) is 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carbaldehyde?
The canonical SMILES for 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carbaldehyde is CC(C)c1nc(N(C)C)ncc1C=O.
What is the InChIKey of 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carbaldehyde?
The InChIKey is ILOGECLXQORROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(2)9-8(6-14)5-11-10(12-9)13(3)4/h5-7H,1-4H3.
What are the key properties of 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carbaldehyde?
2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carbaldehyde has a molecular weight of 193.25 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 83878437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).