6-phenylmethoxy-5,6,7,8-tetrahydroquinazoline-2,4-diamine

C15H18N4O — CID 19705229

IUPAC6-phenylmethoxy-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESNc1nc(N)c2c(n1)CCC(OCc1ccccc1)C2
InChIInChI=1S/C15H18N4O/c16-14-12-8-11(6-7-13(12)18-15(17)19-14)20-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H4,16,17,18,19)
InChIKeyIVSATPGEDBHMHV-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.72
Rot. Bonds3

About 6-phenylmethoxy-5,6,7,8-tetrahydroquinazoline-2,4-diamine

6-phenylmethoxy-5,6,7,8-tetrahydroquinazoline-2,4-diamine (PubChem CID 19705229) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 6-phenylmethoxy-5,6,7,8-tetrahydroquinazoline-2,4-diamine.

Molecular Properties

Compound Name6-phenylmethoxy-5,6,7,8-tetrahydroquinazoline-2,4-diamine
PubChem CID19705229
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name6-phenylmethoxy-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESNc1nc(N)c2c(n1)CCC(OCc1ccccc1)C2
InChIInChI=1S/C15H18N4O/c16-14-12-8-11(6-7-13(12)18-15(17)19-14)20-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H4,16,17,18,19)
InChIKeyIVSATPGEDBHMHV-UHFFFAOYSA-N
XLogP1.72
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The IUPAC name of 6-phenylmethoxy-5,6,7,8-tetrahydroquinazoline-2,4-diamine (CID 19705229) is 6-phenylmethoxy-5,6,7,8-tetrahydroquinazoline-2,4-diamine.
What is the SMILES notation for 6-phenylmethoxy-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The canonical SMILES for 6-phenylmethoxy-5,6,7,8-tetrahydroquinazoline-2,4-diamine is Nc1nc(N)c2c(n1)CCC(OCc1ccccc1)C2.
What is the InChIKey of 6-phenylmethoxy-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The InChIKey is IVSATPGEDBHMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-14-12-8-11(6-7-13(12)18-15(17)19-14)20-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H4,16,17,18,19).
What are the key properties of 6-phenylmethoxy-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
6-phenylmethoxy-5,6,7,8-tetrahydroquinazoline-2,4-diamine has a molecular weight of 270.34 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-5,6,7,8-tetrahydroquinazoline-2,4-diamine is sourced from PubChem (CID 19705229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).