6-[[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine

C14H19N7O — CID 154800261

IUPAC6-[[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CN2CCC(OCc3ccncc3)C2)n1
InChIInChI=1S/C14H19N7O/c15-13-18-12(19-14(16)20-13)8-21-6-3-11(7-21)22-9-10-1-4-17-5-2-10/h1-2,4-5,11H,3,6-9H2,(H4,15,16,18,19,20)
InChIKeyQFPTUEBNPULWIX-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.22
Rot. Bonds5

About 6-[[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine

6-[[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 154800261) has the molecular formula C14H19N7O and a molecular weight of 301.35 g/mol. Its IUPAC name is 6-[[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID154800261
Molecular FormulaC14H19N7O
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name6-[[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CN2CCC(OCc3ccncc3)C2)n1
InChIInChI=1S/C14H19N7O/c15-13-18-12(19-14(16)20-13)8-21-6-3-11(7-21)22-9-10-1-4-17-5-2-10/h1-2,4-5,11H,3,6-9H2,(H4,15,16,18,19,20)
InChIKeyQFPTUEBNPULWIX-UHFFFAOYSA-N
XLogP0.22
TPSA116.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-4-[[(3S)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methyl]benzonitrile
CID 100664156
1-(4-fluorophenyl)-2-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanol
CID 167793847
2-ethoxy-6-[(3S)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]pyrazine
CID 99802324
2-ethoxy-6-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]pyrazine
CID 102563969
2-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]oxymethyl]pyridine
CID 56896073
(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 39225703
2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 113241423
2-amino-3-methoxy-1-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 120990016
2-[3-(aminomethyl)cyclobutyl]-1-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanone
CID 166301910
4-[(3-methoxypiperidin-1-yl)methyl]pyridine
CID 131702809
1-benzyl-4-phenylmethoxypiperidine
CID 15892976
2-(3-phenylmethoxypyrrolidin-1-yl)acetaldehyde
CID 131071412

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine (CID 154800261) is 6-[[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(CN2CCC(OCc3ccncc3)C2)n1.
What is the InChIKey of 6-[[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is QFPTUEBNPULWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O/c15-13-18-12(19-14(16)20-13)8-21-6-3-11(7-21)22-9-10-1-4-17-5-2-10/h1-2,4-5,11H,3,6-9H2,(H4,15,16,18,19,20).
What are the key properties of 6-[[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
6-[[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 301.35 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 154800261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).