2-(ethylamino)pyrimidine-5-carbaldehyde

C7H9N3O — CID 11400865

IUPAC2-(ethylamino)pyrimidine-5-carbaldehyde
SMILESCCNc1ncc(C=O)cn1
InChIInChI=1S/C7H9N3O/c1-2-8-7-9-3-6(5-11)4-10-7/h3-5H,2H2,1H3,(H,8,9,10)
InChIKeyFFFRZFQWAMMSTB-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.72
Rot. Bonds3

About 2-(ethylamino)pyrimidine-5-carbaldehyde

2-(ethylamino)pyrimidine-5-carbaldehyde (PubChem CID 11400865) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 2-(ethylamino)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-(ethylamino)pyrimidine-5-carbaldehyde
PubChem CID11400865
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name2-(ethylamino)pyrimidine-5-carbaldehyde
SMILESCCNc1ncc(C=O)cn1
InChIInChI=1S/C7H9N3O/c1-2-8-7-9-3-6(5-11)4-10-7/h3-5H,2H2,1H3,(H,8,9,10)
InChIKeyFFFRZFQWAMMSTB-UHFFFAOYSA-N
XLogP0.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-(ethylaminomethyl)pyrimidin-2-amine
CID 102536247
2-ethylpyrimidine-5-carbaldehyde
CID 3160971
ethane;2-(ethylamino)pyrimidine-5-carbonitrile
CID 142425715
3-[[2-(ethylamino)pyrimidin-5-yl]methylamino]propanoic acid
CID 102536297
2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidine-5-carbaldehyde
CID 58259308
2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-5-sulfonamide
CID 102907919
2-(ethylamino)-1,3-thiazole-5-carbaldehyde
CID 82416119
2-(ethylamino)pyridine-3-carbaldehyde
CID 15561922
N-amino-N-[2-(ethylamino)pyrimidin-5-yl]methanimidamide
CID 144598528
N-cyclohexyl-2-(ethylamino)-N-methylpyrimidine-5-sulfonamide
CID 62148862
2-aminopyrimidine-5-carbaldehyde;hydrate
CID 71464028
N-ethyl-5-phenylmethoxypyrimidin-2-amine
CID 130337236

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)pyrimidine-5-carbaldehyde?
The IUPAC name of 2-(ethylamino)pyrimidine-5-carbaldehyde (CID 11400865) is 2-(ethylamino)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-(ethylamino)pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-(ethylamino)pyrimidine-5-carbaldehyde is CCNc1ncc(C=O)cn1.
What is the InChIKey of 2-(ethylamino)pyrimidine-5-carbaldehyde?
The InChIKey is FFFRZFQWAMMSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-2-8-7-9-3-6(5-11)4-10-7/h3-5H,2H2,1H3,(H,8,9,10).
What are the key properties of 2-(ethylamino)pyrimidine-5-carbaldehyde?
2-(ethylamino)pyrimidine-5-carbaldehyde has a molecular weight of 151.17 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 11400865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).