6-N-(2-morpholin-4-ylethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine

C16H23N7O — CID 22542884

IUPAC6-N-(2-morpholin-4-ylethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
SMILESNc1c(NCCN2CCOCC2)ncnc1NCc1cccnc1
InChIInChI=1S/C16H23N7O/c17-14-15(19-4-5-23-6-8-24-9-7-23)21-12-22-16(14)20-11-13-2-1-3-18-10-13/h1-3,10,12H,4-9,11,17H2,(H2,19,20,21,22)
InChIKeySTHMWTUMMQUPOG-UHFFFAOYSA-N
MW329.41 g/mol
LogP0.81
Rot. Bonds7

About 6-N-(2-morpholin-4-ylethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine

6-N-(2-morpholin-4-ylethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine (PubChem CID 22542884) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 6-N-(2-morpholin-4-ylethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(2-morpholin-4-ylethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
PubChem CID22542884
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name6-N-(2-morpholin-4-ylethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
SMILESNc1c(NCCN2CCOCC2)ncnc1NCc1cccnc1
InChIInChI=1S/C16H23N7O/c17-14-15(19-4-5-23-6-8-24-9-7-23)21-12-22-16(14)20-11-13-2-1-3-18-10-13/h1-3,10,12H,4-9,11,17H2,(H2,19,20,21,22)
InChIKeySTHMWTUMMQUPOG-UHFFFAOYSA-N
XLogP0.81
TPSA101.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-N-(2-morpholin-4-ylethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine with MolForge

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Related Compounds

6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 22542824
6-N-(2-methoxyethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542825
2-(1,4-oxazepan-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 62968313
N-(2-morpholin-4-ylethyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109344568
2-N-(2-morpholin-4-ylethyl)pyridine-2,3-diamine
CID 14417721
6-N-(2-morpholin-4-ylethyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144827
6-N-(2-morpholin-4-ylethyl)-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 117080592
4-N-(2-morpholin-4-ylethyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19154001
5-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109185798
4-N-(4-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19148640
4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542886
N-(2-morpholin-4-ylethyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109277480

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-morpholin-4-ylethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(2-morpholin-4-ylethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine (CID 22542884) is 6-N-(2-morpholin-4-ylethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(2-morpholin-4-ylethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(2-morpholin-4-ylethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine is Nc1c(NCCN2CCOCC2)ncnc1NCc1cccnc1.
What is the InChIKey of 6-N-(2-morpholin-4-ylethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine?
The InChIKey is STHMWTUMMQUPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c17-14-15(19-4-5-23-6-8-24-9-7-23)21-12-22-16(14)20-11-13-2-1-3-18-10-13/h1-3,10,12H,4-9,11,17H2,(H2,19,20,21,22).
What are the key properties of 6-N-(2-morpholin-4-ylethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine?
6-N-(2-morpholin-4-ylethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine has a molecular weight of 329.41 g/mol, XLogP of 0.81, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-morpholin-4-ylethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22542884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).