N-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)-methylamino]propyl]cyclobutanecarboxamide

C16H23ClN4O — CID 59225308

IUPACN-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)-methylamino]propyl]cyclobutanecarboxamide
SMILESCN(CCCNC(=O)C1CCC1)c1nc(Cl)ncc1C1CC1
InChIInChI=1S/C16H23ClN4O/c1-21(9-3-8-18-15(22)12-4-2-5-12)14-13(11-6-7-11)10-19-16(17)20-14/h10-12H,2-9H2,1H3,(H,18,22)
InChIKeyXNQJDUWZGKZMDN-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.75
Rot. Bonds7

About N-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)-methylamino]propyl]cyclobutanecarboxamide

N-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)-methylamino]propyl]cyclobutanecarboxamide (PubChem CID 59225308) has the molecular formula C16H23ClN4O and a molecular weight of 322.84 g/mol. Its IUPAC name is N-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)-methylamino]propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)-methylamino]propyl]cyclobutanecarboxamide
PubChem CID59225308
Molecular FormulaC16H23ClN4O
Molecular Weight322.84 g/mol
Exact Mass322.16
IUPAC NameN-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)-methylamino]propyl]cyclobutanecarboxamide
SMILESCN(CCCNC(=O)C1CCC1)c1nc(Cl)ncc1C1CC1
InChIInChI=1S/C16H23ClN4O/c1-21(9-3-8-18-15(22)12-4-2-5-12)14-13(11-6-7-11)10-19-16(17)20-14/h10-12H,2-9H2,1H3,(H,18,22)
InChIKeyXNQJDUWZGKZMDN-UHFFFAOYSA-N
XLogP2.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)-methylamino]propyl]cyclobutanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)-methylamino]propyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)-methylamino]propyl]cyclobutanecarboxamide (CID 59225308) is N-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)-methylamino]propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)-methylamino]propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)-methylamino]propyl]cyclobutanecarboxamide is CN(CCCNC(=O)C1CCC1)c1nc(Cl)ncc1C1CC1.
What is the InChIKey of N-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)-methylamino]propyl]cyclobutanecarboxamide?
The InChIKey is XNQJDUWZGKZMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O/c1-21(9-3-8-18-15(22)12-4-2-5-12)14-13(11-6-7-11)10-19-16(17)20-14/h10-12H,2-9H2,1H3,(H,18,22).
What are the key properties of N-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)-methylamino]propyl]cyclobutanecarboxamide?
N-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)-methylamino]propyl]cyclobutanecarboxamide has a molecular weight of 322.84 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)-methylamino]propyl]cyclobutanecarboxamide is sourced from PubChem (CID 59225308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).