4-methoxy-6-[methyl(prop-2-enyl)amino]pyrimidine-5-carbaldehyde

C10H13N3O2 — CID 124706509

IUPAC4-methoxy-6-[methyl(prop-2-enyl)amino]pyrimidine-5-carbaldehyde
SMILESC=CCN(C)c1ncnc(OC)c1C=O
InChIInChI=1S/C10H13N3O2/c1-4-5-13(2)9-8(6-14)10(15-3)12-7-11-9/h4,6-7H,1,5H2,2-3H3
InChIKeyOCBYATSUWRBVQG-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.92
Rot. Bonds5

About 4-methoxy-6-[methyl(prop-2-enyl)amino]pyrimidine-5-carbaldehyde

4-methoxy-6-[methyl(prop-2-enyl)amino]pyrimidine-5-carbaldehyde (PubChem CID 124706509) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-methoxy-6-[methyl(prop-2-enyl)amino]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-methoxy-6-[methyl(prop-2-enyl)amino]pyrimidine-5-carbaldehyde
PubChem CID124706509
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name4-methoxy-6-[methyl(prop-2-enyl)amino]pyrimidine-5-carbaldehyde
SMILESC=CCN(C)c1ncnc(OC)c1C=O
InChIInChI=1S/C10H13N3O2/c1-4-5-13(2)9-8(6-14)10(15-3)12-7-11-9/h4,6-7H,1,5H2,2-3H3
InChIKeyOCBYATSUWRBVQG-UHFFFAOYSA-N
XLogP0.92
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,6-Dimethoxypyrimidine-5-carbaldehyde
CID 4436645
2-Imino-6-methoxy-4-(pyrrolidin-1-yl)-1,2-dihydropyrimidine-5-carbaldehyde
CID 16227978
4-Methoxypyrimidine-5-carbaldehyde
CID 19875763
2-Amino-4-methoxy-6-(morpholin-4-yl)pyrimidine-5-carbaldehyde
CID 22110115
2,4-Dimethoxypyrimidine-5-carbaldehyde
CID 597782
4-Amino-6-methoxypyrimidine-5-carbaldehyde
CID 71695332
4-Methoxy-2-(trifluoromethyl)pyrimidine-5-carbaldehyde
CID 83882639
Gdavtjvueszces-uhfffaoysa-
CID 15349634
Gofmqhiuqhunbe-uhfffaoysa-
CID 15349635
Uyaxqlqjsyxmkf-uhfffaoysa-
CID 15349636
4-(Dimethylamino)-2,6-dimethoxypyrimidine-5-carbaldehyde
CID 13934565
2-Chloro-4-methoxypyrimidine-5-carbaldehyde
CID 15147553

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[methyl(prop-2-enyl)amino]pyrimidine-5-carbaldehyde?
The IUPAC name of 4-methoxy-6-[methyl(prop-2-enyl)amino]pyrimidine-5-carbaldehyde (CID 124706509) is 4-methoxy-6-[methyl(prop-2-enyl)amino]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-methoxy-6-[methyl(prop-2-enyl)amino]pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-methoxy-6-[methyl(prop-2-enyl)amino]pyrimidine-5-carbaldehyde is C=CCN(C)c1ncnc(OC)c1C=O.
What is the InChIKey of 4-methoxy-6-[methyl(prop-2-enyl)amino]pyrimidine-5-carbaldehyde?
The InChIKey is OCBYATSUWRBVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-4-5-13(2)9-8(6-14)10(15-3)12-7-11-9/h4,6-7H,1,5H2,2-3H3.
What are the key properties of 4-methoxy-6-[methyl(prop-2-enyl)amino]pyrimidine-5-carbaldehyde?
4-methoxy-6-[methyl(prop-2-enyl)amino]pyrimidine-5-carbaldehyde has a molecular weight of 207.23 g/mol, XLogP of 0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[methyl(prop-2-enyl)amino]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 124706509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).