5-fluoro-4-morpholin-4-yl-N-(3-pyridin-4-ylpropyl)pyrimidin-2-amine

C16H20FN5O — CID 50951243

IUPAC5-fluoro-4-morpholin-4-yl-N-(3-pyridin-4-ylpropyl)pyrimidin-2-amine
SMILESFc1cnc(NCCCc2ccncc2)nc1N1CCOCC1
InChIInChI=1S/C16H20FN5O/c17-14-12-20-16(21-15(14)22-8-10-23-11-9-22)19-5-1-2-13-3-6-18-7-4-13/h3-4,6-7,12H,1-2,5,8-11H2,(H,19,20,21)
InChIKeySOODBYOJTNQPQO-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.89
Rot. Bonds6

About 5-fluoro-4-morpholin-4-yl-N-(3-pyridin-4-ylpropyl)pyrimidin-2-amine

5-fluoro-4-morpholin-4-yl-N-(3-pyridin-4-ylpropyl)pyrimidin-2-amine (PubChem CID 50951243) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is 5-fluoro-4-morpholin-4-yl-N-(3-pyridin-4-ylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-morpholin-4-yl-N-(3-pyridin-4-ylpropyl)pyrimidin-2-amine
PubChem CID50951243
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC Name5-fluoro-4-morpholin-4-yl-N-(3-pyridin-4-ylpropyl)pyrimidin-2-amine
SMILESFc1cnc(NCCCc2ccncc2)nc1N1CCOCC1
InChIInChI=1S/C16H20FN5O/c17-14-12-20-16(21-15(14)22-8-10-23-11-9-22)19-5-1-2-13-3-6-18-7-4-13/h3-4,6-7,12H,1-2,5,8-11H2,(H,19,20,21)
InChIKeySOODBYOJTNQPQO-UHFFFAOYSA-N
XLogP1.89
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-fluoro-4-morpholin-4-yl-N-(3-pyridin-4-ylpropyl)pyrimidin-2-amine 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

N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-pyridin-3-ylethane-1,2-diamine
CID 50962093
N-butyl-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 50950437
5-fluoro-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 134706688
4-morpholin-4-yl-N-(2-pyridin-4-ylethyl)aniline
CID 63180016
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
4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine
CID 112886384
5-fluoro-4-morpholin-4-yl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-2-amine
CID 50965748
1-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 135684617
5-fluoro-N-iodo-4-morpholin-4-ylpyrimidine-2-carboxamide
CID 130197461
4-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 112886382
N-[(E)-[5-(2-chloro-4-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58876879

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-morpholin-4-yl-N-(3-pyridin-4-ylpropyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-morpholin-4-yl-N-(3-pyridin-4-ylpropyl)pyrimidin-2-amine (CID 50951243) is 5-fluoro-4-morpholin-4-yl-N-(3-pyridin-4-ylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-morpholin-4-yl-N-(3-pyridin-4-ylpropyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-morpholin-4-yl-N-(3-pyridin-4-ylpropyl)pyrimidin-2-amine is Fc1cnc(NCCCc2ccncc2)nc1N1CCOCC1.
What is the InChIKey of 5-fluoro-4-morpholin-4-yl-N-(3-pyridin-4-ylpropyl)pyrimidin-2-amine?
The InChIKey is SOODBYOJTNQPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O/c17-14-12-20-16(21-15(14)22-8-10-23-11-9-22)19-5-1-2-13-3-6-18-7-4-13/h3-4,6-7,12H,1-2,5,8-11H2,(H,19,20,21).
What are the key properties of 5-fluoro-4-morpholin-4-yl-N-(3-pyridin-4-ylpropyl)pyrimidin-2-amine?
5-fluoro-4-morpholin-4-yl-N-(3-pyridin-4-ylpropyl)pyrimidin-2-amine has a molecular weight of 317.37 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-morpholin-4-yl-N-(3-pyridin-4-ylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 50951243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).