4-[(4-aminopyrimidin-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid

C17H21N5O3 — CID 122028214

IUPAC4-[(4-aminopyrimidin-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid
SMILESNc1ncncc1CNC(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C17H21N5O3/c18-16-13(9-19-11-21-16)10-20-17(25)22-14(6-7-15(23)24)8-12-4-2-1-3-5-12/h1-5,9,11,14H,6-8,10H2,(H,23,24)(H2,18,19,21)(H2,20,22,25)
InChIKeyDSSQDKXBRWQNGH-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.33
Rot. Bonds8

About 4-[(4-aminopyrimidin-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid

4-[(4-aminopyrimidin-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid (PubChem CID 122028214) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-[(4-aminopyrimidin-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(4-aminopyrimidin-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid
PubChem CID122028214
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name4-[(4-aminopyrimidin-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid
SMILESNc1ncncc1CNC(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C17H21N5O3/c18-16-13(9-19-11-21-16)10-20-17(25)22-14(6-7-15(23)24)8-12-4-2-1-3-5-12/h1-5,9,11,14H,6-8,10H2,(H,23,24)(H2,18,19,21)(H2,20,22,25)
InChIKeyDSSQDKXBRWQNGH-UHFFFAOYSA-N
XLogP1.33
TPSA130.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-[(4-aminopyrimidin-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122008021
4-[(2,5-difluorophenyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122000989
4-[(2-methyl-4-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122016072
4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122000992
4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122000939
4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid
CID 122027128
4-[[1-(hydroxymethyl)-2-phenylcyclopropyl]methylcarbamoylamino]-5-phenylpentanoic acid
CID 122027603
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
5-phenyl-4-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 122027336
4-[(4-chloro-1-methylpyrazol-3-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122016344
5-phenyl-4-[[2-(trifluoromethyl)-4-pyridinyl]methylcarbamoylamino]pentanoic acid
CID 122016176
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminopyrimidin-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(4-aminopyrimidin-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid (CID 122028214) is 4-[(4-aminopyrimidin-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(4-aminopyrimidin-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(4-aminopyrimidin-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid is Nc1ncncc1CNC(=O)NC(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 4-[(4-aminopyrimidin-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid?
The InChIKey is DSSQDKXBRWQNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c18-16-13(9-19-11-21-16)10-20-17(25)22-14(6-7-15(23)24)8-12-4-2-1-3-5-12/h1-5,9,11,14H,6-8,10H2,(H,23,24)(H2,18,19,21)(H2,20,22,25).
What are the key properties of 4-[(4-aminopyrimidin-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid?
4-[(4-aminopyrimidin-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid has a molecular weight of 343.39 g/mol, XLogP of 1.33, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminopyrimidin-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122028214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).