N-[3-[(5-cyclopropyl-2-methylpyrimidin-4-yl)amino]propyl]cyclobutanecarboxamide

C16H24N4O — CID 59225236

IUPACN-[3-[(5-cyclopropyl-2-methylpyrimidin-4-yl)amino]propyl]cyclobutanecarboxamide
SMILESCc1ncc(C2CC2)c(NCCCNC(=O)C2CCC2)n1
InChIInChI=1S/C16H24N4O/c1-11-19-10-14(12-6-7-12)15(20-11)17-8-3-9-18-16(21)13-4-2-5-13/h10,12-13H,2-9H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyBYFOIZFCRHCCRY-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.38
Rot. Bonds7

About N-[3-[(5-cyclopropyl-2-methylpyrimidin-4-yl)amino]propyl]cyclobutanecarboxamide

N-[3-[(5-cyclopropyl-2-methylpyrimidin-4-yl)amino]propyl]cyclobutanecarboxamide (PubChem CID 59225236) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[3-[(5-cyclopropyl-2-methylpyrimidin-4-yl)amino]propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[(5-cyclopropyl-2-methylpyrimidin-4-yl)amino]propyl]cyclobutanecarboxamide
PubChem CID59225236
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-[3-[(5-cyclopropyl-2-methylpyrimidin-4-yl)amino]propyl]cyclobutanecarboxamide
SMILESCc1ncc(C2CC2)c(NCCCNC(=O)C2CCC2)n1
InChIInChI=1S/C16H24N4O/c1-11-19-10-14(12-6-7-12)15(20-11)17-8-3-9-18-16(21)13-4-2-5-13/h10,12-13H,2-9H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyBYFOIZFCRHCCRY-UHFFFAOYSA-N
XLogP2.38
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.38
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-cyclopropyl-2-methylpyrimidin-4-yl)amino]propyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[(5-cyclopropyl-2-methylpyrimidin-4-yl)amino]propyl]cyclobutanecarboxamide (CID 59225236) is N-[3-[(5-cyclopropyl-2-methylpyrimidin-4-yl)amino]propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[(5-cyclopropyl-2-methylpyrimidin-4-yl)amino]propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[(5-cyclopropyl-2-methylpyrimidin-4-yl)amino]propyl]cyclobutanecarboxamide is Cc1ncc(C2CC2)c(NCCCNC(=O)C2CCC2)n1.
What is the InChIKey of N-[3-[(5-cyclopropyl-2-methylpyrimidin-4-yl)amino]propyl]cyclobutanecarboxamide?
The InChIKey is BYFOIZFCRHCCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11-19-10-14(12-6-7-12)15(20-11)17-8-3-9-18-16(21)13-4-2-5-13/h10,12-13H,2-9H2,1H3,(H,18,21)(H,17,19,20).
What are the key properties of N-[3-[(5-cyclopropyl-2-methylpyrimidin-4-yl)amino]propyl]cyclobutanecarboxamide?
N-[3-[(5-cyclopropyl-2-methylpyrimidin-4-yl)amino]propyl]cyclobutanecarboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-cyclopropyl-2-methylpyrimidin-4-yl)amino]propyl]cyclobutanecarboxamide is sourced from PubChem (CID 59225236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).