N-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-3-methylbutanamide

C13H20ClN3O — CID 87758790

IUPACN-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-3-methylbutanamide
SMILESCCCc1c(Cl)ncnc1CNC(=O)CC(C)C
InChIInChI=1S/C13H20ClN3O/c1-4-5-10-11(16-8-17-13(10)14)7-15-12(18)6-9(2)3/h8-9H,4-7H2,1-3H3,(H,15,18)
InChIKeyDZRNBGLVHXDVOM-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.74
Rot. Bonds6

About N-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-3-methylbutanamide

N-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-3-methylbutanamide (PubChem CID 87758790) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is N-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-3-methylbutanamide
PubChem CID87758790
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC NameN-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-3-methylbutanamide
SMILESCCCc1c(Cl)ncnc1CNC(=O)CC(C)C
InChIInChI=1S/C13H20ClN3O/c1-4-5-10-11(16-8-17-13(10)14)7-15-12(18)6-9(2)3/h8-9H,4-7H2,1-3H3,(H,15,18)
InChIKeyDZRNBGLVHXDVOM-UHFFFAOYSA-N
XLogP2.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-3-methylbutanamide?
The IUPAC name of N-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-3-methylbutanamide (CID 87758790) is N-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-3-methylbutanamide.
What is the SMILES notation for N-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-3-methylbutanamide?
The canonical SMILES for N-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-3-methylbutanamide is CCCc1c(Cl)ncnc1CNC(=O)CC(C)C.
What is the InChIKey of N-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-3-methylbutanamide?
The InChIKey is DZRNBGLVHXDVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-4-5-10-11(16-8-17-13(10)14)7-15-12(18)6-9(2)3/h8-9H,4-7H2,1-3H3,(H,15,18).
What are the key properties of N-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-3-methylbutanamide?
N-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-3-methylbutanamide has a molecular weight of 269.78 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-3-methylbutanamide is sourced from PubChem (CID 87758790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).