5-(2,5-dimethyl-1H-pyrrol-3-yl)-2,4-dimethoxypyrimidine

C12H15N3O2 — CID 142260902

IUPAC5-(2,5-dimethyl-1H-pyrrol-3-yl)-2,4-dimethoxypyrimidine
SMILESCOc1ncc(-c2cc(C)[nH]c2C)c(OC)n1
InChIInChI=1S/C12H15N3O2/c1-7-5-9(8(2)14-7)10-6-13-12(17-4)15-11(10)16-3/h5-6,14H,1-4H3
InChIKeyWPAKANLOIPWKNL-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.11
Rot. Bonds3

About 5-(2,5-dimethyl-1H-pyrrol-3-yl)-2,4-dimethoxypyrimidine

5-(2,5-dimethyl-1H-pyrrol-3-yl)-2,4-dimethoxypyrimidine (PubChem CID 142260902) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-(2,5-dimethyl-1H-pyrrol-3-yl)-2,4-dimethoxypyrimidine.

Molecular Properties

Compound Name5-(2,5-dimethyl-1H-pyrrol-3-yl)-2,4-dimethoxypyrimidine
PubChem CID142260902
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5-(2,5-dimethyl-1H-pyrrol-3-yl)-2,4-dimethoxypyrimidine
SMILESCOc1ncc(-c2cc(C)[nH]c2C)c(OC)n1
InChIInChI=1S/C12H15N3O2/c1-7-5-9(8(2)14-7)10-6-13-12(17-4)15-11(10)16-3/h5-6,14H,1-4H3
InChIKeyWPAKANLOIPWKNL-UHFFFAOYSA-N
XLogP2.11
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethoxy-5-(4-methylphenyl)pyrimidine
CID 90464410
5-(2,4-dimethoxyphenyl)-2,4-dimethoxypyrimidine
CID 141069506
5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrimidin-6-one
CID 122358570
2,4-dimethoxy-5-(3-methoxyphenyl)pyrimidine
CID 76538776
8-(2,4-dimethoxypyrimidin-5-yl)quinoline
CID 39749827
5-[5-chloro-4-(2-cyclopropylcyclopropyl)-1H-pyrrol-2-yl]-2,4-dimethoxypyrimidine
CID 167110248
methyl 3-chloro-4-(2,4-dimethoxypyrimidin-5-yl)benzoate
CID 67256583
2,4-dimethoxy-5-(4-propylphenyl)pyrimidine
CID 71176850
2,4-dimethoxy-5-[5-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]pyrimidine
CID 71460489
5-[5-(1-ethylcyclopropyl)-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine
CID 175692811
2-(carbamoylamino)-6-(2,4-dimethoxypyrimidin-5-yl)-1H-indole-3-carboxamide
CID 59189762
2,4-dimethoxy-5-[6-(3-methoxyphenyl)pyrazin-2-yl]pyrimidine
CID 126473814

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethyl-1H-pyrrol-3-yl)-2,4-dimethoxypyrimidine?
The IUPAC name of 5-(2,5-dimethyl-1H-pyrrol-3-yl)-2,4-dimethoxypyrimidine (CID 142260902) is 5-(2,5-dimethyl-1H-pyrrol-3-yl)-2,4-dimethoxypyrimidine.
What is the SMILES notation for 5-(2,5-dimethyl-1H-pyrrol-3-yl)-2,4-dimethoxypyrimidine?
The canonical SMILES for 5-(2,5-dimethyl-1H-pyrrol-3-yl)-2,4-dimethoxypyrimidine is COc1ncc(-c2cc(C)[nH]c2C)c(OC)n1.
What is the InChIKey of 5-(2,5-dimethyl-1H-pyrrol-3-yl)-2,4-dimethoxypyrimidine?
The InChIKey is WPAKANLOIPWKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7-5-9(8(2)14-7)10-6-13-12(17-4)15-11(10)16-3/h5-6,14H,1-4H3.
What are the key properties of 5-(2,5-dimethyl-1H-pyrrol-3-yl)-2,4-dimethoxypyrimidine?
5-(2,5-dimethyl-1H-pyrrol-3-yl)-2,4-dimethoxypyrimidine has a molecular weight of 233.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethyl-1H-pyrrol-3-yl)-2,4-dimethoxypyrimidine is sourced from PubChem (CID 142260902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).