N-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]-2-propylpentanamide

C20H27ClN4O — CID 3040080

IUPACN-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1nc(N)c(-c2ccc(Cl)cc2)c(CC)n1
InChIInChI=1S/C20H27ClN4O/c1-4-7-14(8-5-2)19(26)25-20-23-16(6-3)17(18(22)24-20)13-9-11-15(21)12-10-13/h9-12,14H,4-8H2,1-3H3,(H3,22,23,24,25,26)
InChIKeyGCLIEWSEPWRKFR-UHFFFAOYSA-N
MW374.92 g/mol
LogP5.10
Rot. Bonds8

About N-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]-2-propylpentanamide

N-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]-2-propylpentanamide (PubChem CID 3040080) has the molecular formula C20H27ClN4O and a molecular weight of 374.92 g/mol. Its IUPAC name is N-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]-2-propylpentanamide
PubChem CID3040080
Molecular FormulaC20H27ClN4O
Molecular Weight374.92 g/mol
Exact Mass374.19
IUPAC NameN-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1nc(N)c(-c2ccc(Cl)cc2)c(CC)n1
InChIInChI=1S/C20H27ClN4O/c1-4-7-14(8-5-2)19(26)25-20-23-16(6-3)17(18(22)24-20)13-9-11-15(21)12-10-13/h9-12,14H,4-8H2,1-3H3,(H3,22,23,24,25,26)
InChIKeyGCLIEWSEPWRKFR-UHFFFAOYSA-N
XLogP5.10
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.92
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]-2-propylpentanamide?
The IUPAC name of N-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]-2-propylpentanamide (CID 3040080) is N-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]-2-propylpentanamide.
What is the SMILES notation for N-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]-2-propylpentanamide?
The canonical SMILES for N-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]-2-propylpentanamide is CCCC(CCC)C(=O)Nc1nc(N)c(-c2ccc(Cl)cc2)c(CC)n1.
What is the InChIKey of N-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]-2-propylpentanamide?
The InChIKey is GCLIEWSEPWRKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O/c1-4-7-14(8-5-2)19(26)25-20-23-16(6-3)17(18(22)24-20)13-9-11-15(21)12-10-13/h9-12,14H,4-8H2,1-3H3,(H3,22,23,24,25,26).
What are the key properties of N-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]-2-propylpentanamide?
N-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]-2-propylpentanamide has a molecular weight of 374.92 g/mol, XLogP of 5.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]-2-propylpentanamide is sourced from PubChem (CID 3040080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).