5-(6-chloro-5-propylpyrimidin-4-yl)-3-methylpentanamide

C13H20ClN3O — CID 87758792

IUPAC5-(6-chloro-5-propylpyrimidin-4-yl)-3-methylpentanamide
SMILESCCCc1c(Cl)ncnc1CCC(C)CC(N)=O
InChIInChI=1S/C13H20ClN3O/c1-3-4-10-11(16-8-17-13(10)14)6-5-9(2)7-12(15)18/h8-9H,3-7H2,1-2H3,(H2,15,18)
InChIKeyCOKZDPCBVLISFE-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.53
Rot. Bonds7

About 5-(6-chloro-5-propylpyrimidin-4-yl)-3-methylpentanamide

5-(6-chloro-5-propylpyrimidin-4-yl)-3-methylpentanamide (PubChem CID 87758792) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 5-(6-chloro-5-propylpyrimidin-4-yl)-3-methylpentanamide.

Molecular Properties

Compound Name5-(6-chloro-5-propylpyrimidin-4-yl)-3-methylpentanamide
PubChem CID87758792
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name5-(6-chloro-5-propylpyrimidin-4-yl)-3-methylpentanamide
SMILESCCCc1c(Cl)ncnc1CCC(C)CC(N)=O
InChIInChI=1S/C13H20ClN3O/c1-3-4-10-11(16-8-17-13(10)14)6-5-9(2)7-12(15)18/h8-9H,3-7H2,1-2H3,(H2,15,18)
InChIKeyCOKZDPCBVLISFE-UHFFFAOYSA-N
XLogP2.53
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-5-propylpyrimidin-4-yl)-3-methylpentanamide?
The IUPAC name of 5-(6-chloro-5-propylpyrimidin-4-yl)-3-methylpentanamide (CID 87758792) is 5-(6-chloro-5-propylpyrimidin-4-yl)-3-methylpentanamide.
What is the SMILES notation for 5-(6-chloro-5-propylpyrimidin-4-yl)-3-methylpentanamide?
The canonical SMILES for 5-(6-chloro-5-propylpyrimidin-4-yl)-3-methylpentanamide is CCCc1c(Cl)ncnc1CCC(C)CC(N)=O.
What is the InChIKey of 5-(6-chloro-5-propylpyrimidin-4-yl)-3-methylpentanamide?
The InChIKey is COKZDPCBVLISFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-3-4-10-11(16-8-17-13(10)14)6-5-9(2)7-12(15)18/h8-9H,3-7H2,1-2H3,(H2,15,18).
What are the key properties of 5-(6-chloro-5-propylpyrimidin-4-yl)-3-methylpentanamide?
5-(6-chloro-5-propylpyrimidin-4-yl)-3-methylpentanamide has a molecular weight of 269.78 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-5-propylpyrimidin-4-yl)-3-methylpentanamide is sourced from PubChem (CID 87758792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).