4-amino-4-phenyl-N-pyrimidin-5-ylbutanamide

C14H16N4O — CID 107588622

IUPAC4-amino-4-phenyl-N-pyrimidin-5-ylbutanamide
SMILESNC(CCC(=O)Nc1cncnc1)c1ccccc1
InChIInChI=1S/C14H16N4O/c15-13(11-4-2-1-3-5-11)6-7-14(19)18-12-8-16-10-17-9-12/h1-5,8-10,13H,6-7,15H2,(H,18,19)
InChIKeySFBDEEXVERRSFP-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.90
Rot. Bonds5

About 4-amino-4-phenyl-N-pyrimidin-5-ylbutanamide

4-amino-4-phenyl-N-pyrimidin-5-ylbutanamide (PubChem CID 107588622) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-amino-4-phenyl-N-pyrimidin-5-ylbutanamide.

Molecular Properties

Compound Name4-amino-4-phenyl-N-pyrimidin-5-ylbutanamide
PubChem CID107588622
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-amino-4-phenyl-N-pyrimidin-5-ylbutanamide
SMILESNC(CCC(=O)Nc1cncnc1)c1ccccc1
InChIInChI=1S/C14H16N4O/c15-13(11-4-2-1-3-5-11)6-7-14(19)18-12-8-16-10-17-9-12/h1-5,8-10,13H,6-7,15H2,(H,18,19)
InChIKeySFBDEEXVERRSFP-UHFFFAOYSA-N
XLogP1.90
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-diphenyl-N-pyridin-3-ylbutanamide
CID 11976417
4-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide
CID 63563168
4-amino-N-(4-methyl-2-pyridinyl)-4-phenylbutanamide
CID 63324069
4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
CID 63324363
4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 83176722
4-amino-N-(2,4-dichlorophenyl)-4-phenylbutanamide
CID 63323928
4-amino-N-(2-imidazol-1-ylethyl)-4-phenylbutanamide
CID 63323955
4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide
CID 63323993
4-amino-4-phenyl-N-prop-2-enylbutanamide
CID 63323887
4-amino-N-[(2-hydroxyphenyl)methyl]-4-phenylbutanamide
CID 114332251
4-amino-N-(3-fluoro-2-methylphenyl)-4-phenylbutanamide
CID 63324007
4-amino-4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 55205488

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-phenyl-N-pyrimidin-5-ylbutanamide?
The IUPAC name of 4-amino-4-phenyl-N-pyrimidin-5-ylbutanamide (CID 107588622) is 4-amino-4-phenyl-N-pyrimidin-5-ylbutanamide.
What is the SMILES notation for 4-amino-4-phenyl-N-pyrimidin-5-ylbutanamide?
The canonical SMILES for 4-amino-4-phenyl-N-pyrimidin-5-ylbutanamide is NC(CCC(=O)Nc1cncnc1)c1ccccc1.
What is the InChIKey of 4-amino-4-phenyl-N-pyrimidin-5-ylbutanamide?
The InChIKey is SFBDEEXVERRSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-13(11-4-2-1-3-5-11)6-7-14(19)18-12-8-16-10-17-9-12/h1-5,8-10,13H,6-7,15H2,(H,18,19).
What are the key properties of 4-amino-4-phenyl-N-pyrimidin-5-ylbutanamide?
4-amino-4-phenyl-N-pyrimidin-5-ylbutanamide has a molecular weight of 256.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-phenyl-N-pyrimidin-5-ylbutanamide is sourced from PubChem (CID 107588622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).