N-[3-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]acetamide

C17H19N5O2 — CID 58098819

IUPACN-[3-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncc(C(C)=O)c(NC3CC3)n2)c1
InChIInChI=1S/C17H19N5O2/c1-10(23)15-9-18-17(22-16(15)20-12-6-7-12)21-14-5-3-4-13(8-14)19-11(2)24/h3-5,8-9,12H,6-7H2,1-2H3,(H,19,24)(H2,18,20,21,22)
InChIKeyOPOJJBMLBXEKEY-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.96
Rot. Bonds6

About N-[3-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]acetamide

N-[3-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]acetamide (PubChem CID 58098819) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[3-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]acetamide
PubChem CID58098819
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-[3-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncc(C(C)=O)c(NC3CC3)n2)c1
InChIInChI=1S/C17H19N5O2/c1-10(23)15-9-18-17(22-16(15)20-12-6-7-12)21-14-5-3-4-13(8-14)19-11(2)24/h3-5,8-9,12H,6-7H2,1-2H3,(H,19,24)(H2,18,20,21,22)
InChIKeyOPOJJBMLBXEKEY-UHFFFAOYSA-N
XLogP2.96
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]acetamide (CID 58098819) is N-[3-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ncc(C(C)=O)c(NC3CC3)n2)c1.
What is the InChIKey of N-[3-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]acetamide?
The InChIKey is OPOJJBMLBXEKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-10(23)15-9-18-17(22-16(15)20-12-6-7-12)21-14-5-3-4-13(8-14)19-11(2)24/h3-5,8-9,12H,6-7H2,1-2H3,(H,19,24)(H2,18,20,21,22).
What are the key properties of N-[3-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]acetamide?
N-[3-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]acetamide has a molecular weight of 325.37 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 58098819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).