4-cyclopropyl-6-methoxypyrimidine-2-carbaldehyde

C9H10N2O2 — CID 83874840

IUPAC4-cyclopropyl-6-methoxypyrimidine-2-carbaldehyde
SMILESCOc1cc(C2CC2)nc(C=O)n1
InChIInChI=1S/C9H10N2O2/c1-13-9-4-7(6-2-3-6)10-8(5-12)11-9/h4-6H,2-3H2,1H3
InChIKeyYWHWTGWEYVXHQE-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.18
Rot. Bonds3

About 4-cyclopropyl-6-methoxypyrimidine-2-carbaldehyde

4-cyclopropyl-6-methoxypyrimidine-2-carbaldehyde (PubChem CID 83874840) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-cyclopropyl-6-methoxypyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name4-cyclopropyl-6-methoxypyrimidine-2-carbaldehyde
PubChem CID83874840
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name4-cyclopropyl-6-methoxypyrimidine-2-carbaldehyde
SMILESCOc1cc(C2CC2)nc(C=O)n1
InChIInChI=1S/C9H10N2O2/c1-13-9-4-7(6-2-3-6)10-8(5-12)11-9/h4-6H,2-3H2,1H3
InChIKeyYWHWTGWEYVXHQE-UHFFFAOYSA-N
XLogP1.18
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-6-(trifluoromethyl)pyrimidine-2-carbaldehyde
CID 83882637
(2-cyclobutyl-6-methoxy-4-pyridinyl)methanamine
CID 105446432
6-cyclopropyl-1,3,5-triazine-2,4-dicarbaldehyde
CID 174762144
2-(4-cyclopropyl-6-methoxypyrimidin-2-yl)-6H-pyrido[2,3-d]pyrimidin-7-one
CID 171056950
5-cyclopentyl-1,2,4-triazine-3-carbaldehyde
CID 105436864
1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carbaldehyde
CID 115355577
4-chloro-6-cyclopropyl-2-(6-methoxypyrimidin-4-yl)pyrimidine
CID 102949860
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbaldehyde
CID 118812855
2-cyclopropyl-4-methoxy-6-propan-2-ylpyrimidine
CID 139361220
2-amino-6-methoxypyridine-4-carbaldehyde
CID 151775259
methyl 4-cyclopropyl-6-(methylamino)pyrimidine-2-carboxylate
CID 66285751
methyl 6-cyclobutyl-2-cyclopropylpyrimidine-4-carboxylate
CID 122239307

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-methoxypyrimidine-2-carbaldehyde?
The IUPAC name of 4-cyclopropyl-6-methoxypyrimidine-2-carbaldehyde (CID 83874840) is 4-cyclopropyl-6-methoxypyrimidine-2-carbaldehyde.
What is the SMILES notation for 4-cyclopropyl-6-methoxypyrimidine-2-carbaldehyde?
The canonical SMILES for 4-cyclopropyl-6-methoxypyrimidine-2-carbaldehyde is COc1cc(C2CC2)nc(C=O)n1.
What is the InChIKey of 4-cyclopropyl-6-methoxypyrimidine-2-carbaldehyde?
The InChIKey is YWHWTGWEYVXHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-13-9-4-7(6-2-3-6)10-8(5-12)11-9/h4-6H,2-3H2,1H3.
What are the key properties of 4-cyclopropyl-6-methoxypyrimidine-2-carbaldehyde?
4-cyclopropyl-6-methoxypyrimidine-2-carbaldehyde has a molecular weight of 178.19 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-methoxypyrimidine-2-carbaldehyde is sourced from PubChem (CID 83874840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).