4-amino-2-methoxy-6-methylpyrimidine-5-carbaldehyde

C7H9N3O2 — CID 10725753

IUPAC4-amino-2-methoxy-6-methylpyrimidine-5-carbaldehyde
SMILESCOc1nc(C)c(C=O)c(N)n1
InChIInChI=1S/C7H9N3O2/c1-4-5(3-11)6(8)10-7(9-4)12-2/h3H,1-2H3,(H2,8,9,10)
InChIKeySXBGNVBUBFGKMV-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.19
Rot. Bonds2

About 4-amino-2-methoxy-6-methylpyrimidine-5-carbaldehyde

4-amino-2-methoxy-6-methylpyrimidine-5-carbaldehyde (PubChem CID 10725753) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 4-amino-2-methoxy-6-methylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-amino-2-methoxy-6-methylpyrimidine-5-carbaldehyde
PubChem CID10725753
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name4-amino-2-methoxy-6-methylpyrimidine-5-carbaldehyde
SMILESCOc1nc(C)c(C=O)c(N)n1
InChIInChI=1S/C7H9N3O2/c1-4-5(3-11)6(8)10-7(9-4)12-2/h3H,1-2H3,(H2,8,9,10)
InChIKeySXBGNVBUBFGKMV-UHFFFAOYSA-N
XLogP0.19
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 4-amino-2,6-dimethylpyrimidine-5-carboxylate
CID 283276
Pyrimidin-4-amine, 5-acetyl-2,6-dimethyl-
CID 591680
4-Amino-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-carboxamide
CID 103151382
4-Amino-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxamide
CID 103477251
4-Amino-2-[2-(2,2-difluoroethoxy)ethyl]-6-methylpyrimidine-5-carboxamide
CID 113781281
4-Amino-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine-5-carboxamide
CID 113820122
4-Amino-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxamide
CID 116648109
4-Amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 116648179
Ethyl 2,4-diamino-6-methyl-5-pyrimidinecarboxylate
CID 745254
2,4,6-Trimethylpyrimidine-5-carbaldehyde
CID 20206446
4-Amino-6-methyl-2-(methylthio)pyrimidine-5-carbaldehyde
CID 22280343
2,4-Dichloro-6-methylpyrimidine-5-carbaldehyde
CID 22647852

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-6-methylpyrimidine-5-carbaldehyde?
The IUPAC name of 4-amino-2-methoxy-6-methylpyrimidine-5-carbaldehyde (CID 10725753) is 4-amino-2-methoxy-6-methylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-amino-2-methoxy-6-methylpyrimidine-5-carbaldehyde?
The canonical SMILES for 4-amino-2-methoxy-6-methylpyrimidine-5-carbaldehyde is COc1nc(C)c(C=O)c(N)n1.
What is the InChIKey of 4-amino-2-methoxy-6-methylpyrimidine-5-carbaldehyde?
The InChIKey is SXBGNVBUBFGKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-4-5(3-11)6(8)10-7(9-4)12-2/h3H,1-2H3,(H2,8,9,10).
What are the key properties of 4-amino-2-methoxy-6-methylpyrimidine-5-carbaldehyde?
4-amino-2-methoxy-6-methylpyrimidine-5-carbaldehyde has a molecular weight of 167.17 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methoxy-6-methylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 10725753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).