6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-propylpyrimidin-4-amine

C13H22N4O — CID 80844504

IUPAC6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1N1CCC(COC)C1
InChIInChI=1S/C13H22N4O/c1-3-4-11-12(14)15-9-16-13(11)17-6-5-10(7-17)8-18-2/h9-10H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeyCPLUWFHPVJSSLU-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.48
Rot. Bonds5

About 6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-propylpyrimidin-4-amine

6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-propylpyrimidin-4-amine (PubChem CID 80844504) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-propylpyrimidin-4-amine
PubChem CID80844504
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1N1CCC(COC)C1
InChIInChI=1S/C13H22N4O/c1-3-4-11-12(14)15-9-16-13(11)17-6-5-10(7-17)8-18-2/h9-10H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeyCPLUWFHPVJSSLU-UHFFFAOYSA-N
XLogP1.48
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-methoxypiperidin-1-yl)-5-propylpyrimidin-4-amine
CID 102971615
N-ethyl-6-[3-(methoxymethyl)piperidin-1-yl]-5-propylpyrimidin-4-amine
CID 106590219
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-propylpyrimidin-4-amine
CID 80854641
4-chloro-5-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidine
CID 63980185
6-(4-propan-2-ylpiperazin-1-yl)-5-propylpyrimidin-4-amine
CID 80792850
2-[1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 114802835
4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine
CID 80844727
6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidin-4-amine
CID 80949806
[1-(6-amino-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112629520
5-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-propylpyrazol-4-amine
CID 66018904
5-propyl-6-(2,2,6-trimethylmorpholin-4-yl)pyrimidin-4-amine
CID 80816930
3-[3-(methoxymethyl)pyrrolidin-1-yl]pyridin-2-amine
CID 104540458

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-propylpyrimidin-4-amine?
The IUPAC name of 6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-propylpyrimidin-4-amine (CID 80844504) is 6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-propylpyrimidin-4-amine is CCCc1c(N)ncnc1N1CCC(COC)C1.
What is the InChIKey of 6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-propylpyrimidin-4-amine?
The InChIKey is CPLUWFHPVJSSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-4-11-12(14)15-9-16-13(11)17-6-5-10(7-17)8-18-2/h9-10H,3-8H2,1-2H3,(H2,14,15,16).
What are the key properties of 6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-propylpyrimidin-4-amine?
6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-propylpyrimidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80844504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).