5-chloro-N-(5-hydroxypentyl)-2-propan-2-ylpyrimidine-4-carboxamide

C13H20ClN3O2 — CID 107317162

IUPAC5-chloro-N-(5-hydroxypentyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)NCCCCCO)n1
InChIInChI=1S/C13H20ClN3O2/c1-9(2)12-16-8-10(14)11(17-12)13(19)15-6-4-3-5-7-18/h8-9,18H,3-7H2,1-2H3,(H,15,19)
InChIKeyVILFCRKVZGYAIQ-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.15
Rot. Bonds7

About 5-chloro-N-(5-hydroxypentyl)-2-propan-2-ylpyrimidine-4-carboxamide

5-chloro-N-(5-hydroxypentyl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 107317162) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 5-chloro-N-(5-hydroxypentyl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(5-hydroxypentyl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID107317162
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name5-chloro-N-(5-hydroxypentyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)NCCCCCO)n1
InChIInChI=1S/C13H20ClN3O2/c1-9(2)12-16-8-10(14)11(17-12)13(19)15-6-4-3-5-7-18/h8-9,18H,3-7H2,1-2H3,(H,15,19)
InChIKeyVILFCRKVZGYAIQ-UHFFFAOYSA-N
XLogP2.15
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.15
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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Related Compounds

N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119382250
5-chloro-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62020193
5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 102904944
5-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 86858726
5-chloro-N-(2-cyclopentylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459372
5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 107847429
2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]propanoic acid
CID 55032602
5-chloro-N-[2-[ethyl(propyl)amino]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 103719266
5-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 79249652
5-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 79250102
5-chloro-N-[2-(cycloheptylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119619321
5-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 103744013

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-hydroxypentyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-(5-hydroxypentyl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 107317162) is 5-chloro-N-(5-hydroxypentyl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(5-hydroxypentyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(5-hydroxypentyl)-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1ncc(Cl)c(C(=O)NCCCCCO)n1.
What is the InChIKey of 5-chloro-N-(5-hydroxypentyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is VILFCRKVZGYAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-9(2)12-16-8-10(14)11(17-12)13(19)15-6-4-3-5-7-18/h8-9,18H,3-7H2,1-2H3,(H,15,19).
What are the key properties of 5-chloro-N-(5-hydroxypentyl)-2-propan-2-ylpyrimidine-4-carboxamide?
5-chloro-N-(5-hydroxypentyl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 285.77 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-hydroxypentyl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 107317162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).