4-cyclobutyloxy-5-methylpyrimidin-2-amine

C9H13N3O — CID 80873387

IUPAC4-cyclobutyloxy-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1OC1CCC1
InChIInChI=1S/C9H13N3O/c1-6-5-11-9(10)12-8(6)13-7-3-2-4-7/h5,7H,2-4H2,1H3,(H2,10,11,12)
InChIKeyJCIIQQXCUOWIED-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.30
Rot. Bonds2

About 4-cyclobutyloxy-5-methylpyrimidin-2-amine

4-cyclobutyloxy-5-methylpyrimidin-2-amine (PubChem CID 80873387) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-cyclobutyloxy-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclobutyloxy-5-methylpyrimidin-2-amine
PubChem CID80873387
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name4-cyclobutyloxy-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1OC1CCC1
InChIInChI=1S/C9H13N3O/c1-6-5-11-9(10)12-8(6)13-7-3-2-4-7/h5,7H,2-4H2,1H3,(H2,10,11,12)
InChIKeyJCIIQQXCUOWIED-UHFFFAOYSA-N
XLogP1.30
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine, 2,4-diethoxy-5-methyl-
CID 81612
5-Methyl-4-(neopentyloxy)pyrimidin-2-amine
CID 122516792
3-((2-Amino-5-methylpyrimidin-4-yl)oxy)-2,2-dimethylpropan-1-ol
CID 122516793
2,4-Dimethoxy-5-methylpyrimidine
CID 579948
4-(2,2-Dimethylpropoxy)pyrimidin-2-amine
CID 122536474
5-Bromo-2-chloro-4-(propan-2-yloxy)pyrimidine
CID 79076021
5-Bromo-4-cyclobutoxypyrimidin-2-amine
CID 80872179
4-Methoxy-5-methylpyrimidine
CID 13861006
4-Butoxypyrimidine
CID 21524439
2,4-Bis(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 118498160
2-Methoxy-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 140282354
2-[(2-Methylpropan-2-yl)oxy]-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 140282357

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxy-5-methylpyrimidin-2-amine?
The IUPAC name of 4-cyclobutyloxy-5-methylpyrimidin-2-amine (CID 80873387) is 4-cyclobutyloxy-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-cyclobutyloxy-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-cyclobutyloxy-5-methylpyrimidin-2-amine is Cc1cnc(N)nc1OC1CCC1.
What is the InChIKey of 4-cyclobutyloxy-5-methylpyrimidin-2-amine?
The InChIKey is JCIIQQXCUOWIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-5-11-9(10)12-8(6)13-7-3-2-4-7/h5,7H,2-4H2,1H3,(H2,10,11,12).
What are the key properties of 4-cyclobutyloxy-5-methylpyrimidin-2-amine?
4-cyclobutyloxy-5-methylpyrimidin-2-amine has a molecular weight of 179.22 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxy-5-methylpyrimidin-2-amine is sourced from PubChem (CID 80873387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).