N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-pyridin-3-ylethane-1,2-diamine

C15H19FN6O — CID 50962093

IUPACN'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-pyridin-3-ylethane-1,2-diamine
SMILESFc1cnc(NCCNc2cccnc2)nc1N1CCOCC1
InChIInChI=1S/C15H19FN6O/c16-13-11-20-15(21-14(13)22-6-8-23-9-7-22)19-5-4-18-12-2-1-3-17-10-12/h1-3,10-11,18H,4-9H2,(H,19,20,21)
InChIKeyZYQYZYXVVDYOPN-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.37
Rot. Bonds6

About N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-pyridin-3-ylethane-1,2-diamine

N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-pyridin-3-ylethane-1,2-diamine (PubChem CID 50962093) has the molecular formula C15H19FN6O and a molecular weight of 318.36 g/mol. Its IUPAC name is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-pyridin-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-pyridin-3-ylethane-1,2-diamine
PubChem CID50962093
Molecular FormulaC15H19FN6O
Molecular Weight318.36 g/mol
Exact Mass318.16
IUPAC NameN'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-pyridin-3-ylethane-1,2-diamine
SMILESFc1cnc(NCCNc2cccnc2)nc1N1CCOCC1
InChIInChI=1S/C15H19FN6O/c16-13-11-20-15(21-14(13)22-6-8-23-9-7-22)19-5-4-18-12-2-1-3-17-10-12/h1-3,10-11,18H,4-9H2,(H,19,20,21)
InChIKeyZYQYZYXVVDYOPN-UHFFFAOYSA-N
XLogP1.37
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-pyridin-3-ylethane-1,2-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

5-fluoro-4-morpholin-4-yl-N-(3-pyridin-4-ylpropyl)pyrimidin-2-amine
CID 50951243
N-butyl-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 50950437
4-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 112886382
5-fluoro-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 134706688
N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]formamide
CID 143431084
4-(azocan-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 80764245
6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(4-pyridin-3-ylphenyl)pyridin-3-amine
CID 91441124
5-fluoro-4-morpholin-4-yl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-2-amine
CID 50965748
N-[(E)-[5-[(2-chloro-6-methyl-4-pyridin-3-ylcyclohepta-2,4,6-trien-1-yl)amino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 143471319
5-fluoro-N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 97203053
5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(4-pyrazol-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 58877256
3-[[3-[[6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol
CID 70951263

Frequently Asked Questions

What is the IUPAC name of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-pyridin-3-ylethane-1,2-diamine?
The IUPAC name of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-pyridin-3-ylethane-1,2-diamine (CID 50962093) is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-pyridin-3-ylethane-1,2-diamine.
What is the SMILES notation for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-pyridin-3-ylethane-1,2-diamine?
The canonical SMILES for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-pyridin-3-ylethane-1,2-diamine is Fc1cnc(NCCNc2cccnc2)nc1N1CCOCC1.
What is the InChIKey of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-pyridin-3-ylethane-1,2-diamine?
The InChIKey is ZYQYZYXVVDYOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6O/c16-13-11-20-15(21-14(13)22-6-8-23-9-7-22)19-5-4-18-12-2-1-3-17-10-12/h1-3,10-11,18H,4-9H2,(H,19,20,21).
What are the key properties of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-pyridin-3-ylethane-1,2-diamine?
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-pyridin-3-ylethane-1,2-diamine has a molecular weight of 318.36 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-pyridin-3-ylethane-1,2-diamine is sourced from PubChem (CID 50962093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).