4-(2-amino-6-methylpyrimidin-4-yl)oxybutylcarbamic acid

C10H16N4O3 — CID 70082030

IUPAC4-(2-amino-6-methylpyrimidin-4-yl)oxybutylcarbamic acid
SMILESCc1cc(OCCCCNC(=O)O)nc(N)n1
InChIInChI=1S/C10H16N4O3/c1-7-6-8(14-9(11)13-7)17-5-3-2-4-12-10(15)16/h6,12H,2-5H2,1H3,(H,15,16)(H2,11,13,14)
InChIKeyPLBKKIABOXKGKN-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.79
Rot. Bonds6

About 4-(2-amino-6-methylpyrimidin-4-yl)oxybutylcarbamic acid

4-(2-amino-6-methylpyrimidin-4-yl)oxybutylcarbamic acid (PubChem CID 70082030) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-(2-amino-6-methylpyrimidin-4-yl)oxybutylcarbamic acid.

Molecular Properties

Compound Name4-(2-amino-6-methylpyrimidin-4-yl)oxybutylcarbamic acid
PubChem CID70082030
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name4-(2-amino-6-methylpyrimidin-4-yl)oxybutylcarbamic acid
SMILESCc1cc(OCCCCNC(=O)O)nc(N)n1
InChIInChI=1S/C10H16N4O3/c1-7-6-8(14-9(11)13-7)17-5-3-2-4-12-10(15)16/h6,12H,2-5H2,1H3,(H,15,16)(H2,11,13,14)
InChIKeyPLBKKIABOXKGKN-UHFFFAOYSA-N
XLogP0.79
TPSA110.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]butanoic acid
CID 112634344
4-chloro-6-[2-(methylamino)ethoxy]pyrimidin-2-amine
CID 122443307
4-(2-cyclobutylethoxy)-6-methylpyrimidin-2-amine
CID 106207412
4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 839789
4-trimethylsilyloxybutylcarbamic acid
CID 87814619
5-acetyloxypentylcarbamic acid
CID 151401165
2-amino-6-methyl-N-(2-propan-2-yloxyethyl)pyrimidine-4-carboxamide
CID 114220427
5-[(2-amino-6-methylpyrimidin-4-yl)amino]pentanamide
CID 106241520
4-methyl-6-octoxy-N-propylpyrimidin-2-amine
CID 80862007
6-butoxy-4-N-dodecylpyrimidine-2,4-diamine
CID 91022427
N-hexyl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637799
3-(2-amino-4-chlorophenoxy)propylcarbamic acid
CID 18449141

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-methylpyrimidin-4-yl)oxybutylcarbamic acid?
The IUPAC name of 4-(2-amino-6-methylpyrimidin-4-yl)oxybutylcarbamic acid (CID 70082030) is 4-(2-amino-6-methylpyrimidin-4-yl)oxybutylcarbamic acid.
What is the SMILES notation for 4-(2-amino-6-methylpyrimidin-4-yl)oxybutylcarbamic acid?
The canonical SMILES for 4-(2-amino-6-methylpyrimidin-4-yl)oxybutylcarbamic acid is Cc1cc(OCCCCNC(=O)O)nc(N)n1.
What is the InChIKey of 4-(2-amino-6-methylpyrimidin-4-yl)oxybutylcarbamic acid?
The InChIKey is PLBKKIABOXKGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-7-6-8(14-9(11)13-7)17-5-3-2-4-12-10(15)16/h6,12H,2-5H2,1H3,(H,15,16)(H2,11,13,14).
What are the key properties of 4-(2-amino-6-methylpyrimidin-4-yl)oxybutylcarbamic acid?
4-(2-amino-6-methylpyrimidin-4-yl)oxybutylcarbamic acid has a molecular weight of 240.26 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-methylpyrimidin-4-yl)oxybutylcarbamic acid is sourced from PubChem (CID 70082030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).