N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]butanamide

C19H25N5O — CID 27620828

IUPACN-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2nc(C)cc(N3CCCC3)n2)cc1
InChIInChI=1S/C19H25N5O/c1-3-6-18(25)21-15-7-9-16(10-8-15)22-19-20-14(2)13-17(23-19)24-11-4-5-12-24/h7-10,13H,3-6,11-12H2,1-2H3,(H,21,25)(H,20,22,23)
InChIKeyVPOZFFIMSZSDMR-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.87
Rot. Bonds6

About N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]butanamide

N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]butanamide (PubChem CID 27620828) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]butanamide
PubChem CID27620828
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2nc(C)cc(N3CCCC3)n2)cc1
InChIInChI=1S/C19H25N5O/c1-3-6-18(25)21-15-7-9-16(10-8-15)22-19-20-14(2)13-17(23-19)24-11-4-5-12-24/h7-10,13H,3-6,11-12H2,1-2H3,(H,21,25)(H,20,22,23)
InChIKeyVPOZFFIMSZSDMR-UHFFFAOYSA-N
XLogP3.87
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]butanamide?
The IUPAC name of N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]butanamide (CID 27620828) is N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]butanamide.
What is the SMILES notation for N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]butanamide?
The canonical SMILES for N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]butanamide is CCCC(=O)Nc1ccc(Nc2nc(C)cc(N3CCCC3)n2)cc1.
What is the InChIKey of N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]butanamide?
The InChIKey is VPOZFFIMSZSDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-3-6-18(25)21-15-7-9-16(10-8-15)22-19-20-14(2)13-17(23-19)24-11-4-5-12-24/h7-10,13H,3-6,11-12H2,1-2H3,(H,21,25)(H,20,22,23).
What are the key properties of N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]butanamide?
N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]butanamide has a molecular weight of 339.44 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]butanamide is sourced from PubChem (CID 27620828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).