3-[1-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol

C14H25N5O2 — CID 80801771

IUPAC3-[1-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol
SMILESCCCOc1nc(NC)nc(N2CCCC2CCCO)n1
InChIInChI=1S/C14H25N5O2/c1-3-10-21-14-17-12(15-2)16-13(18-14)19-8-4-6-11(19)7-5-9-20/h11,20H,3-10H2,1-2H3,(H,15,16,17,18)
InChIKeyCGHNXZNRIBEIFU-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.44
Rot. Bonds8

About 3-[1-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol

3-[1-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 80801771) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-[1-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol
PubChem CID80801771
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name3-[1-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol
SMILESCCCOc1nc(NC)nc(N2CCCC2CCCO)n1
InChIInChI=1S/C14H25N5O2/c1-3-10-21-14-17-12(15-2)16-13(18-14)19-8-4-6-11(19)7-5-9-20/h11,20H,3-10H2,1-2H3,(H,15,16,17,18)
InChIKeyCGHNXZNRIBEIFU-UHFFFAOYSA-N
XLogP1.44
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[1-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol with MolForge

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Related Compounds

3-[1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 80826047
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 82751850
2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol
CID 62870210
3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]propan-1-ol
CID 80865821
4-(3-ethylpiperidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80793428
4-ethoxy-N-ethyl-6-(2-propylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 83045624
4-(2,2-dimethylpyrrolidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80828072
[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]methanol
CID 80774756
3-[1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-2-yl]propan-1-ol
CID 114784987
N-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80865018
N-ethyl-4-(2-methylazepan-1-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 80821345
2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
CID 63390254

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol (CID 80801771) is 3-[1-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol is CCCOc1nc(NC)nc(N2CCCC2CCCO)n1.
What is the InChIKey of 3-[1-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is CGHNXZNRIBEIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-3-10-21-14-17-12(15-2)16-13(18-14)19-8-4-6-11(19)7-5-9-20/h11,20H,3-10H2,1-2H3,(H,15,16,17,18).
What are the key properties of 3-[1-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 295.39 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 80801771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).