4,6-dimorpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine

C17H23N7O2 — CID 1110091

IUPAC4,6-dimorpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
SMILESc1cncc(CNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C17H23N7O2/c1-2-14(12-18-3-1)13-19-15-20-16(23-4-8-25-9-5-23)22-17(21-15)24-6-10-26-11-7-24/h1-3,12H,4-11,13H2,(H,19,20,21,22)
InChIKeySGWHGCWPPYSPML-UHFFFAOYSA-N
MW357.42 g/mol
LogP0.55
Rot. Bonds5

About 4,6-dimorpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine

4,6-dimorpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 1110091) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is 4,6-dimorpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimorpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID1110091
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC Name4,6-dimorpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
SMILESc1cncc(CNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C17H23N7O2/c1-2-14(12-18-3-1)13-19-15-20-16(23-4-8-25-9-5-23)22-17(21-15)24-6-10-26-11-7-24/h1-3,12H,4-11,13H2,(H,19,20,21,22)
InChIKeySGWHGCWPPYSPML-UHFFFAOYSA-N
XLogP0.55
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

Buparlisib
CID 16654980
Bimiralisib
CID 58507717
5-(2-Morpholinopyrimidin-4-yl)pyrimidin-2-amine
CID 53326637
(S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine
CID 121334433
5-(2,6-Dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 58508157
1-(4-(4,6-bis((R)-3-methylmorpholino)-1,3,5-triazin-2-yl)phenyl)-3-(pyridin-4-yl)urea
CID 46884583
Pqr626
CID 121334440
4-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine
CID 121334501
s-Triazine, 2-amino-4-piperidino-6-(3-pyridyl)-
CID 207459
6-{2-[6-(Morpholin-4-yl)pyridin-3-yl]ethynyl}-5-(3-phenylpropyl)pyrimidin-4-amine
CID 10883874
5-Benzyl-6-{2-[6-(morpholin-4-yl)pyridin-3-yl]ethynyl}pyrimidin-4-amine
CID 10959648
6-{2-[6-(Morpholin-4-yl)pyridin-3-yl]ethynyl}pyrimidin-4-amine
CID 23646789

Frequently Asked Questions

What is the IUPAC name of 4,6-dimorpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimorpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine (CID 1110091) is 4,6-dimorpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimorpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimorpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine is c1cncc(CNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 4,6-dimorpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is SGWHGCWPPYSPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2/c1-2-14(12-18-3-1)13-19-15-20-16(23-4-8-25-9-5-23)22-17(21-15)24-6-10-26-11-7-24/h1-3,12H,4-11,13H2,(H,19,20,21,22).
What are the key properties of 4,6-dimorpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine?
4,6-dimorpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 357.42 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimorpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 1110091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).