6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidin-4-amine

C13H22N4O — CID 80949806

IUPAC6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(N2CCC(COC)C2)n1
InChIInChI=1S/C13H22N4O/c1-3-4-12-15-11(14)7-13(16-12)17-6-5-10(8-17)9-18-2/h7,10H,3-6,8-9H2,1-2H3,(H2,14,15,16)
InChIKeyOUTHBNXQLVDWHM-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.48
Rot. Bonds5

About 6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidin-4-amine

6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidin-4-amine (PubChem CID 80949806) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidin-4-amine
PubChem CID80949806
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(N2CCC(COC)C2)n1
InChIInChI=1S/C13H22N4O/c1-3-4-12-15-11(14)7-13(16-12)17-6-5-10(8-17)9-18-2/h7,10H,3-6,8-9H2,1-2H3,(H2,14,15,16)
InChIKeyOUTHBNXQLVDWHM-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-ethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine
CID 113419496
4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidine
CID 80945124
2-(methoxymethyl)-6-(3-propylpyrrolidin-1-yl)pyrimidin-4-amine
CID 113419522
[1-(6-amino-2-propylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 80945816
6-(3-methoxy-4-methylpiperidin-1-yl)-2-propylpyrimidin-4-amine
CID 102971349
6-(3-methoxypiperidin-1-yl)-2-propylpyrimidin-4-amine
CID 102971529
2-(6-amino-2-propylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863604
6-[3-(methoxymethyl)piperidin-1-yl]-2-propan-2-ylpyrimidin-4-amine
CID 106590173
4-hydrazinyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80918018
2-propyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine
CID 80945393
6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106772949
1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-3-ol
CID 80935425

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidin-4-amine?
The IUPAC name of 6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidin-4-amine (CID 80949806) is 6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidin-4-amine is CCCc1nc(N)cc(N2CCC(COC)C2)n1.
What is the InChIKey of 6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidin-4-amine?
The InChIKey is OUTHBNXQLVDWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-4-12-15-11(14)7-13(16-12)17-6-5-10(8-17)9-18-2/h7,10H,3-6,8-9H2,1-2H3,(H2,14,15,16).
What are the key properties of 6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidin-4-amine?
6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-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]-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80949806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).