N-[7-[(5-chloro-6-ethylpyrimidin-4-yl)amino]nonyl]acetamide

C17H29ClN4O — CID 15016218

IUPACN-[7-[(5-chloro-6-ethylpyrimidin-4-yl)amino]nonyl]acetamide
SMILESCCc1ncnc(NC(CC)CCCCCCNC(C)=O)c1Cl
InChIInChI=1S/C17H29ClN4O/c1-4-14(10-8-6-7-9-11-19-13(3)23)22-17-16(18)15(5-2)20-12-21-17/h12,14H,4-11H2,1-3H3,(H,19,23)(H,20,21,22)
InChIKeyRICYPTKXULFYDF-UHFFFAOYSA-N
MW340.90 g/mol
LogP3.97
Rot. Bonds11

About N-[7-[(5-chloro-6-ethylpyrimidin-4-yl)amino]nonyl]acetamide

N-[7-[(5-chloro-6-ethylpyrimidin-4-yl)amino]nonyl]acetamide (PubChem CID 15016218) has the molecular formula C17H29ClN4O and a molecular weight of 340.90 g/mol. Its IUPAC name is N-[7-[(5-chloro-6-ethylpyrimidin-4-yl)amino]nonyl]acetamide.

Molecular Properties

Compound NameN-[7-[(5-chloro-6-ethylpyrimidin-4-yl)amino]nonyl]acetamide
PubChem CID15016218
Molecular FormulaC17H29ClN4O
Molecular Weight340.90 g/mol
Exact Mass340.20
IUPAC NameN-[7-[(5-chloro-6-ethylpyrimidin-4-yl)amino]nonyl]acetamide
SMILESCCc1ncnc(NC(CC)CCCCCCNC(C)=O)c1Cl
InChIInChI=1S/C17H29ClN4O/c1-4-14(10-8-6-7-9-11-19-13(3)23)22-17-16(18)15(5-2)20-12-21-17/h12,14H,4-11H2,1-3H3,(H,19,23)(H,20,21,22)
InChIKeyRICYPTKXULFYDF-UHFFFAOYSA-N
XLogP3.97
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 53.97
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-[7-[(5-chloro-6-ethylpyrimidin-4-yl)amino]nonyl]acetamide?
The IUPAC name of N-[7-[(5-chloro-6-ethylpyrimidin-4-yl)amino]nonyl]acetamide (CID 15016218) is N-[7-[(5-chloro-6-ethylpyrimidin-4-yl)amino]nonyl]acetamide.
What is the SMILES notation for N-[7-[(5-chloro-6-ethylpyrimidin-4-yl)amino]nonyl]acetamide?
The canonical SMILES for N-[7-[(5-chloro-6-ethylpyrimidin-4-yl)amino]nonyl]acetamide is CCc1ncnc(NC(CC)CCCCCCNC(C)=O)c1Cl.
What is the InChIKey of N-[7-[(5-chloro-6-ethylpyrimidin-4-yl)amino]nonyl]acetamide?
The InChIKey is RICYPTKXULFYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClN4O/c1-4-14(10-8-6-7-9-11-19-13(3)23)22-17-16(18)15(5-2)20-12-21-17/h12,14H,4-11H2,1-3H3,(H,19,23)(H,20,21,22).
What are the key properties of N-[7-[(5-chloro-6-ethylpyrimidin-4-yl)amino]nonyl]acetamide?
N-[7-[(5-chloro-6-ethylpyrimidin-4-yl)amino]nonyl]acetamide has a molecular weight of 340.90 g/mol, XLogP of 3.97, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(5-chloro-6-ethylpyrimidin-4-yl)amino]nonyl]acetamide is sourced from PubChem (CID 15016218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).