4-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]-5,5-dimethylhexanoic acid

C14H24N4O3 — CID 136958999

IUPAC4-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]-5,5-dimethylhexanoic acid
SMILESCC(C)(C)C(CCNc1nc[nH]c(=O)c1N)CCC(=O)O
InChIInChI=1S/C14H24N4O3/c1-14(2,3)9(4-5-10(19)20)6-7-16-12-11(15)13(21)18-8-17-12/h8-9H,4-7,15H2,1-3H3,(H,19,20)(H2,16,17,18,21)
InChIKeyJEUSXDZIKJVAFI-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.68
Rot. Bonds7

About 4-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]-5,5-dimethylhexanoic acid

4-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]-5,5-dimethylhexanoic acid (PubChem CID 136958999) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]-5,5-dimethylhexanoic acid.

Molecular Properties

Compound Name4-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]-5,5-dimethylhexanoic acid
PubChem CID136958999
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name4-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]-5,5-dimethylhexanoic acid
SMILESCC(C)(C)C(CCNc1nc[nH]c(=O)c1N)CCC(=O)O
InChIInChI=1S/C14H24N4O3/c1-14(2,3)9(4-5-10(19)20)6-7-16-12-11(15)13(21)18-8-17-12/h8-9H,4-7,15H2,1-3H3,(H,19,20)(H2,16,17,18,21)
InChIKeyJEUSXDZIKJVAFI-UHFFFAOYSA-N
XLogP1.68
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]-5,5-dimethylhexanoic acid with MolForge

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Related Compounds

2-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic acid
CID 136858001
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 136954402
6-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958356
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958438
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 136958680
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid
CID 136958857
6-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylhexanoic acid
CID 136958979
6-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-ethylhexanoic acid
CID 136958985
4-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]heptanoic acid
CID 136958990
4-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]-5-methylhexanoic acid
CID 136958995
5,5-dimethyl-4-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]hexanoic acid
CID 136959000
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 136959056

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]-5,5-dimethylhexanoic acid?
The IUPAC name of 4-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]-5,5-dimethylhexanoic acid (CID 136958999) is 4-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]-5,5-dimethylhexanoic acid.
What is the SMILES notation for 4-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]-5,5-dimethylhexanoic acid?
The canonical SMILES for 4-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]-5,5-dimethylhexanoic acid is CC(C)(C)C(CCNc1nc[nH]c(=O)c1N)CCC(=O)O.
What is the InChIKey of 4-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]-5,5-dimethylhexanoic acid?
The InChIKey is JEUSXDZIKJVAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-14(2,3)9(4-5-10(19)20)6-7-16-12-11(15)13(21)18-8-17-12/h8-9H,4-7,15H2,1-3H3,(H,19,20)(H2,16,17,18,21).
What are the key properties of 4-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]-5,5-dimethylhexanoic acid?
4-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]-5,5-dimethylhexanoic acid has a molecular weight of 296.37 g/mol, XLogP of 1.68, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]-5,5-dimethylhexanoic acid is sourced from PubChem (CID 136958999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).