5-fluoro-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine

C11H18FN5O — CID 80771545

IUPAC5-fluoro-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
SMILESNc1ncc(F)c(NCCCN2CCOCC2)n1
InChIInChI=1S/C11H18FN5O/c12-9-8-15-11(13)16-10(9)14-2-1-3-17-4-6-18-7-5-17/h8H,1-7H2,(H3,13,14,15,16)
InChIKeyUHIZJUIFRSWZII-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.33
Rot. Bonds5

About 5-fluoro-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine

5-fluoro-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine (PubChem CID 80771545) has the molecular formula C11H18FN5O and a molecular weight of 255.30 g/mol. Its IUPAC name is 5-fluoro-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
PubChem CID80771545
Molecular FormulaC11H18FN5O
Molecular Weight255.30 g/mol
Exact Mass255.15
IUPAC Name5-fluoro-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
SMILESNc1ncc(F)c(NCCCN2CCOCC2)n1
InChIInChI=1S/C11H18FN5O/c12-9-8-15-11(13)16-10(9)14-2-1-3-17-4-6-18-7-5-17/h8H,1-7H2,(H3,13,14,15,16)
InChIKeyUHIZJUIFRSWZII-UHFFFAOYSA-N
XLogP0.33
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[3,5-bis(trifluoromethyl)phenyl]-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 87621675
5-(3-chlorophenyl)-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 68862429
3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine
CID 113228910
5-[3-(3-methylphenyl)phenyl]-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 68920820
5-fluoro-2-hydrazinyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 80914697
2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
CID 24823423
2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79633494
2-chloro-5-fluoro-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;5-fluoro-2-hydrazinyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;hydrazine
CID 159786969
3,5-dichloro-6-N-(3-morpholin-4-ylpropyl)pyridine-2,6-diamine
CID 102755807
5-N-(3-morpholin-4-ylpropyl)pyridine-3,5-diamine
CID 113423694
4-N-[4-(dimethylamino)butyl]-5-fluoropyrimidine-2,4-diamine
CID 80816916
4-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 81131918

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine (CID 80771545) is 5-fluoro-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine is Nc1ncc(F)c(NCCCN2CCOCC2)n1.
What is the InChIKey of 5-fluoro-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine?
The InChIKey is UHIZJUIFRSWZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN5O/c12-9-8-15-11(13)16-10(9)14-2-1-3-17-4-6-18-7-5-17/h8H,1-7H2,(H3,13,14,15,16).
What are the key properties of 5-fluoro-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine?
5-fluoro-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine has a molecular weight of 255.30 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80771545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).