4-N-benzyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine

C16H20N4O — CID 82456251

IUPAC4-N-benzyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine
SMILESCCOc1nc(C2CC2)nc(NCc2ccccc2)c1N
InChIInChI=1S/C16H20N4O/c1-2-21-16-13(17)15(19-14(20-16)12-8-9-12)18-10-11-6-4-3-5-7-11/h3-7,12H,2,8-10,17H2,1H3,(H,18,19,20)
InChIKeyCGDVBYGOEBIKPS-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.95
Rot. Bonds6

About 4-N-benzyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine

4-N-benzyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine (PubChem CID 82456251) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-N-benzyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine
PubChem CID82456251
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-N-benzyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine
SMILESCCOc1nc(C2CC2)nc(NCc2ccccc2)c1N
InChIInChI=1S/C16H20N4O/c1-2-21-16-13(17)15(19-14(20-16)12-8-9-12)18-10-11-6-4-3-5-7-11/h3-7,12H,2,8-10,17H2,1H3,(H,18,19,20)
InChIKeyCGDVBYGOEBIKPS-UHFFFAOYSA-N
XLogP2.95
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-benzyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine (CID 82456251) is 4-N-benzyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-benzyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-benzyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine is CCOc1nc(C2CC2)nc(NCc2ccccc2)c1N.
What is the InChIKey of 4-N-benzyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine?
The InChIKey is CGDVBYGOEBIKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-21-16-13(17)15(19-14(20-16)12-8-9-12)18-10-11-6-4-3-5-7-11/h3-7,12H,2,8-10,17H2,1H3,(H,18,19,20).
What are the key properties of 4-N-benzyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine?
4-N-benzyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine has a molecular weight of 284.36 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine is sourced from PubChem (CID 82456251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).