N-cyclopropyl-4-[(5-fluoropyrimidin-2-yl)amino]butanamide

C11H15FN4O — CID 112703121

IUPACN-cyclopropyl-4-[(5-fluoropyrimidin-2-yl)amino]butanamide
SMILESO=C(CCCNc1ncc(F)cn1)NC1CC1
InChIInChI=1S/C11H15FN4O/c12-8-6-14-11(15-7-8)13-5-1-2-10(17)16-9-3-4-9/h6-7,9H,1-5H2,(H,16,17)(H,13,14,15)
InChIKeyPXCDXQHXIYGGKT-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.09
Rot. Bonds6

About N-cyclopropyl-4-[(5-fluoropyrimidin-2-yl)amino]butanamide

N-cyclopropyl-4-[(5-fluoropyrimidin-2-yl)amino]butanamide (PubChem CID 112703121) has the molecular formula C11H15FN4O and a molecular weight of 238.27 g/mol. Its IUPAC name is N-cyclopropyl-4-[(5-fluoropyrimidin-2-yl)amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(5-fluoropyrimidin-2-yl)amino]butanamide
PubChem CID112703121
Molecular FormulaC11H15FN4O
Molecular Weight238.27 g/mol
Exact Mass238.12
IUPAC NameN-cyclopropyl-4-[(5-fluoropyrimidin-2-yl)amino]butanamide
SMILESO=C(CCCNc1ncc(F)cn1)NC1CC1
InChIInChI=1S/C11H15FN4O/c12-8-6-14-11(15-7-8)13-5-1-2-10(17)16-9-3-4-9/h6-7,9H,1-5H2,(H,16,17)(H,13,14,15)
InChIKeyPXCDXQHXIYGGKT-UHFFFAOYSA-N
XLogP1.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-[(5-fluoro-2-pyridinyl)amino]butanamide
CID 79401055
N-cyclopropyl-4-[(5-iodopyrimidin-4-yl)amino]butanamide
CID 79401058
4-[(4-aminopyrimidin-2-yl)amino]-N-cyclopropylbutanamide
CID 116796107
4-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide
CID 90634187
4-[(6-carbamothioyl-3-pyridinyl)amino]-N-cyclopropylbutanamide
CID 115488712
N-cyclopropyl-4-(3-fluoro-5-nitroanilino)butanamide
CID 79401426
6-[[4-(cyclopropylamino)-4-oxobutyl]amino]pyrazine-2-carboxylic acid
CID 79400956
4-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide
CID 80836242
4-[(3-chloro-2-pyridinyl)amino]-N-cyclopropylbutanamide
CID 79401819
N-cyclopropyl-4-(3,4-diaminoanilino)butanamide
CID 106750979
4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]-N-cyclopropylbutanamide
CID 133317005
4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide
CID 104507008

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(5-fluoropyrimidin-2-yl)amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[(5-fluoropyrimidin-2-yl)amino]butanamide (CID 112703121) is N-cyclopropyl-4-[(5-fluoropyrimidin-2-yl)amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[(5-fluoropyrimidin-2-yl)amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[(5-fluoropyrimidin-2-yl)amino]butanamide is O=C(CCCNc1ncc(F)cn1)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[(5-fluoropyrimidin-2-yl)amino]butanamide?
The InChIKey is PXCDXQHXIYGGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O/c12-8-6-14-11(15-7-8)13-5-1-2-10(17)16-9-3-4-9/h6-7,9H,1-5H2,(H,16,17)(H,13,14,15).
What are the key properties of N-cyclopropyl-4-[(5-fluoropyrimidin-2-yl)amino]butanamide?
N-cyclopropyl-4-[(5-fluoropyrimidin-2-yl)amino]butanamide has a molecular weight of 238.27 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(5-fluoropyrimidin-2-yl)amino]butanamide is sourced from PubChem (CID 112703121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).