N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-propylpyrimidin-4-amine

C16H28N4O — CID 80879280

IUPACN-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1OCCC1CCCN1C
InChIInChI=1S/C16H28N4O/c1-4-7-14-15(17-5-2)18-12-19-16(14)21-11-9-13-8-6-10-20(13)3/h12-13H,4-11H2,1-3H3,(H,17,18,19)
InChIKeyKDTJVCNFOKOWEU-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.72
Rot. Bonds8

About N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-propylpyrimidin-4-amine

N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-propylpyrimidin-4-amine (PubChem CID 80879280) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-propylpyrimidin-4-amine
PubChem CID80879280
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1OCCC1CCCN1C
InChIInChI=1S/C16H28N4O/c1-4-7-14-15(17-5-2)18-12-19-16(14)21-11-9-13-8-6-10-20(13)3/h12-13H,4-11H2,1-3H3,(H,17,18,19)
InChIKeyKDTJVCNFOKOWEU-UHFFFAOYSA-N
XLogP2.72
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-cyclobutylethoxy)-N,5-dipropylpyrimidin-4-amine
CID 106207776
N-ethyl-5-methyl-6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-amine
CID 80876908
6-(2-butoxyethoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80861396
6-(2-cyclopropylethoxy)-N,5-diethylpyrimidin-4-amine
CID 106207529
N-ethyl-5-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-2-amine
CID 80870503
6-ethoxy-N-ethyl-5-propylpyrimidin-4-amine
CID 80858401
N-ethyl-5-fluoro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-2-amine
CID 80870420
N-ethyl-5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794971
N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridin-2-amine
CID 80870418
N-methyl-6-(2-piperidin-1-ylethoxy)-5-propylpyrimidin-4-amine
CID 80870502
6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-N-propylpyrimidin-4-amine
CID 80870896
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-5-propylpyrimidin-4-amine
CID 80861209

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-propylpyrimidin-4-amine (CID 80879280) is N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-propylpyrimidin-4-amine is CCCc1c(NCC)ncnc1OCCC1CCCN1C.
What is the InChIKey of N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-propylpyrimidin-4-amine?
The InChIKey is KDTJVCNFOKOWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-7-14-15(17-5-2)18-12-19-16(14)21-11-9-13-8-6-10-20(13)3/h12-13H,4-11H2,1-3H3,(H,17,18,19).
What are the key properties of N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-propylpyrimidin-4-amine?
N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-propylpyrimidin-4-amine has a molecular weight of 292.43 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80879280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).