N-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]-N-cyclobutylformamide

C15H21ClN4O — CID 170944208

IUPACN-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]-N-cyclobutylformamide
SMILESO=CN(CCCNc1nc(Cl)ncc1C1CC1)C1CCC1
InChIInChI=1S/C15H21ClN4O/c16-15-18-9-13(11-5-6-11)14(19-15)17-7-2-8-20(10-21)12-3-1-4-12/h9-12H,1-8H2,(H,17,18,19)
InChIKeyJVHLHBNRHBWLQC-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.82
Rot. Bonds8

About N-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]-N-cyclobutylformamide

N-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]-N-cyclobutylformamide (PubChem CID 170944208) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is N-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]-N-cyclobutylformamide.

Molecular Properties

Compound NameN-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]-N-cyclobutylformamide
PubChem CID170944208
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC NameN-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]-N-cyclobutylformamide
SMILESO=CN(CCCNc1nc(Cl)ncc1C1CC1)C1CCC1
InChIInChI=1S/C15H21ClN4O/c16-15-18-9-13(11-5-6-11)14(19-15)17-7-2-8-20(10-21)12-3-1-4-12/h9-12H,1-8H2,(H,17,18,19)
InChIKeyJVHLHBNRHBWLQC-UHFFFAOYSA-N
XLogP2.82
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(cyclopropylmethyl)-2-[[N-[N'-(3,3-difluorocyclobutyl)-N-methylidenecarbamimidoyl]-N'-methylcarbamimidoyl]amino]pyrimidin-4-yl]formamide
CID 123379411
5-[2-(3-aminocyclobutyl)ethyl]-2-chloro-N-(3-fluoropropyl)pyrimidin-4-amine
CID 132197712
N-[3-[2-[2-chloro-4-(3-fluoropropylamino)pyrimidin-5-yl]ethynyl]cyclobutyl]formamide
CID 132197895
N-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]-3-fluoro-N-methyl-3-phosphanylcyclobutane-1-carboxamide
CID 155745818
N-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]-3,3-difluoro-N-methylcyclobutane-1-carboxamide
CID 156341176
3-(5-cyclopropylpyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
CID 146103980
5-cyclopropyl-2-N-methyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 54437952
N'-(2-chloro-5-cyclopropylpyrimidin-4-yl)propane-1,3-diamine
CID 59225234
N-[3-[(5-cyclopropyl-2-methylpyrimidin-4-yl)amino]propyl]cyclobutanecarboxamide
CID 59225236
1-[3-[(2-Chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]-3-methylimidazolidin-2-one
CID 59225241
1-[3-[(2-Chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]-3,3-dimethylpyrrolidin-2-one
CID 59225294
N-[3-[(2-Chloro-5-cyclopropyl-4-pyrimidinyl)amino]propyl]cyclobutanecarboxamide
CID 59225300

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]-N-cyclobutylformamide?
The IUPAC name of N-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]-N-cyclobutylformamide (CID 170944208) is N-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]-N-cyclobutylformamide.
What is the SMILES notation for N-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]-N-cyclobutylformamide?
The canonical SMILES for N-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]-N-cyclobutylformamide is O=CN(CCCNc1nc(Cl)ncc1C1CC1)C1CCC1.
What is the InChIKey of N-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]-N-cyclobutylformamide?
The InChIKey is JVHLHBNRHBWLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c16-15-18-9-13(11-5-6-11)14(19-15)17-7-2-8-20(10-21)12-3-1-4-12/h9-12H,1-8H2,(H,17,18,19).
What are the key properties of N-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]-N-cyclobutylformamide?
N-[3-[(2-chloro-5-cyclopropylpyrimidin-4-yl)amino]propyl]-N-cyclobutylformamide has a molecular weight of 308.81 g/mol, XLogP of 2.82, 8 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)amino]propyl]-N-cyclobutylformamide is sourced from PubChem (CID 170944208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).