N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]formamide

C9H12FN5O2 — CID 143431084

IUPACN-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]formamide
SMILESO=CNNc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C9H12FN5O2/c10-7-5-11-9(14-12-6-16)13-8(7)15-1-3-17-4-2-15/h5-6H,1-4H2,(H,12,16)(H,11,13,14)
InChIKeyPASAPMXURHUBAG-UHFFFAOYSA-N
MW241.23 g/mol
LogP-0.47
Rot. Bonds4

About N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]formamide

N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]formamide (PubChem CID 143431084) has the molecular formula C9H12FN5O2 and a molecular weight of 241.23 g/mol. Its IUPAC name is N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]formamide.

Molecular Properties

Compound NameN-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]formamide
PubChem CID143431084
Molecular FormulaC9H12FN5O2
Molecular Weight241.23 g/mol
Exact Mass241.10
IUPAC NameN-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]formamide
SMILESO=CNNc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C9H12FN5O2/c10-7-5-11-9(14-12-6-16)13-8(7)15-1-3-17-4-2-15/h5-6H,1-4H2,(H,12,16)(H,11,13,14)
InChIKeyPASAPMXURHUBAG-UHFFFAOYSA-N
XLogP-0.47
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-butyl-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 50950437
5-fluoro-4-morpholin-4-yl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-2-amine
CID 50965748
5-fluoro-4-morpholin-4-yl-N-[(Z)-(4-morpholin-4-yl-3-nitrosophenyl)methylideneamino]pyrimidin-2-amine
CID 118070379
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-pyridin-3-ylethane-1,2-diamine
CID 50962093
5-fluoro-N-iodo-4-morpholin-4-ylpyrimidine-2-carboxamide
CID 130197461
5-fluoro-N-[(Z)-(3-methyl-4-morpholin-4-ylphenyl)methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
CID 129106591
4-(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 3631524
5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 134696082
2,6-dibromo-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 3456586
2-[4-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
CID 126221378
5-fluoro-4-morpholin-4-yl-N-(3-pyridin-4-ylpropyl)pyrimidin-2-amine
CID 50951243
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide
CID 58876798

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]formamide?
The IUPAC name of N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]formamide (CID 143431084) is N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]formamide.
What is the SMILES notation for N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]formamide?
The canonical SMILES for N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]formamide is O=CNNc1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]formamide?
The InChIKey is PASAPMXURHUBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN5O2/c10-7-5-11-9(14-12-6-16)13-8(7)15-1-3-17-4-2-15/h5-6H,1-4H2,(H,12,16)(H,11,13,14).
What are the key properties of N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]formamide?
N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]formamide has a molecular weight of 241.23 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]formamide is sourced from PubChem (CID 143431084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).