4-cyclopropyl-5-propan-2-yl-6-(trideuteriomethoxy)pyrimidine

C11H16N2O — CID 168800079

IUPAC4-cyclopropyl-5-propan-2-yl-6-(trideuteriomethoxy)pyrimidine
SMILES[2H]C([2H])([2H])Oc1ncnc(C2CC2)c1C(C)C
InChIInChI=1S/C11H16N2O/c1-7(2)9-10(8-4-5-8)12-6-13-11(9)14-3/h6-8H,4-5H2,1-3H3/i3D3
InChIKeyRZFOLQDKGUUQJH-HPRDVNIFSA-N
MW195.28 g/mol
LogP2.49
Rot. Bonds4

About 4-cyclopropyl-5-propan-2-yl-6-(trideuteriomethoxy)pyrimidine

4-cyclopropyl-5-propan-2-yl-6-(trideuteriomethoxy)pyrimidine (PubChem CID 168800079) has the molecular formula C11H16N2O and a molecular weight of 195.28 g/mol. Its IUPAC name is 4-cyclopropyl-5-propan-2-yl-6-(trideuteriomethoxy)pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-5-propan-2-yl-6-(trideuteriomethoxy)pyrimidine
PubChem CID168800079
Molecular FormulaC11H16N2O
Molecular Weight195.28 g/mol
Exact Mass195.15
IUPAC Name4-cyclopropyl-5-propan-2-yl-6-(trideuteriomethoxy)pyrimidine
SMILES[2H]C([2H])([2H])Oc1ncnc(C2CC2)c1C(C)C
InChIInChI=1S/C11H16N2O/c1-7(2)9-10(8-4-5-8)12-6-13-11(9)14-3/h6-8H,4-5H2,1-3H3/i3D3
InChIKeyRZFOLQDKGUUQJH-HPRDVNIFSA-N
XLogP2.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-propan-2-yl-6-(trideuteriomethoxy)pyrimidine?
The IUPAC name of 4-cyclopropyl-5-propan-2-yl-6-(trideuteriomethoxy)pyrimidine (CID 168800079) is 4-cyclopropyl-5-propan-2-yl-6-(trideuteriomethoxy)pyrimidine.
What is the SMILES notation for 4-cyclopropyl-5-propan-2-yl-6-(trideuteriomethoxy)pyrimidine?
The canonical SMILES for 4-cyclopropyl-5-propan-2-yl-6-(trideuteriomethoxy)pyrimidine is [2H]C([2H])([2H])Oc1ncnc(C2CC2)c1C(C)C.
What is the InChIKey of 4-cyclopropyl-5-propan-2-yl-6-(trideuteriomethoxy)pyrimidine?
The InChIKey is RZFOLQDKGUUQJH-HPRDVNIFSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7(2)9-10(8-4-5-8)12-6-13-11(9)14-3/h6-8H,4-5H2,1-3H3/i3D3.
What are the key properties of 4-cyclopropyl-5-propan-2-yl-6-(trideuteriomethoxy)pyrimidine?
4-cyclopropyl-5-propan-2-yl-6-(trideuteriomethoxy)pyrimidine has a molecular weight of 195.28 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-propan-2-yl-6-(trideuteriomethoxy)pyrimidine is sourced from PubChem (CID 168800079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).