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

C11H15IN4O — CID 79401058

IUPACN-cyclopropyl-4-[(5-iodopyrimidin-4-yl)amino]butanamide
SMILESO=C(CCCNc1ncncc1I)NC1CC1
InChIInChI=1S/C11H15IN4O/c12-9-6-13-7-15-11(9)14-5-1-2-10(17)16-8-3-4-8/h6-8H,1-5H2,(H,16,17)(H,13,14,15)
InChIKeyGYWDDMXWVDHDLZ-UHFFFAOYSA-N
MW346.17 g/mol
LogP1.55
Rot. Bonds6

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

N-cyclopropyl-4-[(5-iodopyrimidin-4-yl)amino]butanamide (PubChem CID 79401058) has the molecular formula C11H15IN4O and a molecular weight of 346.17 g/mol. Its IUPAC name is N-cyclopropyl-4-[(5-iodopyrimidin-4-yl)amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(5-iodopyrimidin-4-yl)amino]butanamide
PubChem CID79401058
Molecular FormulaC11H15IN4O
Molecular Weight346.17 g/mol
Exact Mass346.03
IUPAC NameN-cyclopropyl-4-[(5-iodopyrimidin-4-yl)amino]butanamide
SMILESO=C(CCCNc1ncncc1I)NC1CC1
InChIInChI=1S/C11H15IN4O/c12-9-6-13-7-15-11(9)14-5-1-2-10(17)16-8-3-4-8/h6-8H,1-5H2,(H,16,17)(H,13,14,15)
InChIKeyGYWDDMXWVDHDLZ-UHFFFAOYSA-N
XLogP1.55
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.17
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-[(5-fluoropyrimidin-2-yl)amino]butanamide
CID 112703121
3-[(5-iodopyrimidin-4-yl)amino]propan-1-ol
CID 66340103
N-cyclopropyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanamide
CID 112730894
N-cyclopropyl-4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide
CID 79400749
4-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-cyclopropylbutanamide
CID 80849403
4-[(3-chloro-2-pyridinyl)amino]-N-cyclopropylbutanamide
CID 79401819
N-(4-hydroxycyclohexyl)-4-(quinazolin-4-ylamino)butanamide
CID 110436172
4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide
CID 104507008
N-[2-[(5-iodopyrimidin-4-yl)amino]ethyl]acetamide
CID 66340325
N-cyclopropyl-4-[(3,5,6-trichloro-2-pyridinyl)amino]butanamide
CID 102751454
6-[[4-(cyclopropylamino)-4-oxobutyl]amino]pyrazine-2-carboxylic acid
CID 79400956
N-cyclopropyl-4-[(5-fluoro-2-pyridinyl)amino]butanamide
CID 79401055

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(5-iodopyrimidin-4-yl)amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[(5-iodopyrimidin-4-yl)amino]butanamide (CID 79401058) is N-cyclopropyl-4-[(5-iodopyrimidin-4-yl)amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[(5-iodopyrimidin-4-yl)amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[(5-iodopyrimidin-4-yl)amino]butanamide is O=C(CCCNc1ncncc1I)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[(5-iodopyrimidin-4-yl)amino]butanamide?
The InChIKey is GYWDDMXWVDHDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN4O/c12-9-6-13-7-15-11(9)14-5-1-2-10(17)16-8-3-4-8/h6-8H,1-5H2,(H,16,17)(H,13,14,15).
What are the key properties of N-cyclopropyl-4-[(5-iodopyrimidin-4-yl)amino]butanamide?
N-cyclopropyl-4-[(5-iodopyrimidin-4-yl)amino]butanamide has a molecular weight of 346.17 g/mol, XLogP of 1.55, 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-iodopyrimidin-4-yl)amino]butanamide is sourced from PubChem (CID 79401058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).