N-(2,5-dimethylpyrrol-1-yl)-6-ethoxy-5-methylpyrimidin-4-amine

C13H18N4O — CID 79106161

IUPACN-(2,5-dimethylpyrrol-1-yl)-6-ethoxy-5-methylpyrimidin-4-amine
SMILESCCOc1ncnc(Nn2c(C)ccc2C)c1C
InChIInChI=1S/C13H18N4O/c1-5-18-13-11(4)12(14-8-15-13)16-17-9(2)6-7-10(17)3/h6-8H,5H2,1-4H3,(H,14,15,16)
InChIKeyPMKMQRDZNVOQLO-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.48
Rot. Bonds4

About N-(2,5-dimethylpyrrol-1-yl)-6-ethoxy-5-methylpyrimidin-4-amine

N-(2,5-dimethylpyrrol-1-yl)-6-ethoxy-5-methylpyrimidin-4-amine (PubChem CID 79106161) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(2,5-dimethylpyrrol-1-yl)-6-ethoxy-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimethylpyrrol-1-yl)-6-ethoxy-5-methylpyrimidin-4-amine
PubChem CID79106161
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-(2,5-dimethylpyrrol-1-yl)-6-ethoxy-5-methylpyrimidin-4-amine
SMILESCCOc1ncnc(Nn2c(C)ccc2C)c1C
InChIInChI=1S/C13H18N4O/c1-5-18-13-11(4)12(14-8-15-13)16-17-9(2)6-7-10(17)3/h6-8H,5H2,1-4H3,(H,14,15,16)
InChIKeyPMKMQRDZNVOQLO-UHFFFAOYSA-N
XLogP2.48
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-6-ethoxy-5-methylpyrimidin-4-amine?
The IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-6-ethoxy-5-methylpyrimidin-4-amine (CID 79106161) is N-(2,5-dimethylpyrrol-1-yl)-6-ethoxy-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2,5-dimethylpyrrol-1-yl)-6-ethoxy-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(2,5-dimethylpyrrol-1-yl)-6-ethoxy-5-methylpyrimidin-4-amine is CCOc1ncnc(Nn2c(C)ccc2C)c1C.
What is the InChIKey of N-(2,5-dimethylpyrrol-1-yl)-6-ethoxy-5-methylpyrimidin-4-amine?
The InChIKey is PMKMQRDZNVOQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-5-18-13-11(4)12(14-8-15-13)16-17-9(2)6-7-10(17)3/h6-8H,5H2,1-4H3,(H,14,15,16).
What are the key properties of N-(2,5-dimethylpyrrol-1-yl)-6-ethoxy-5-methylpyrimidin-4-amine?
N-(2,5-dimethylpyrrol-1-yl)-6-ethoxy-5-methylpyrimidin-4-amine has a molecular weight of 246.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrrol-1-yl)-6-ethoxy-5-methylpyrimidin-4-amine is sourced from PubChem (CID 79106161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).