6-phenyl-3,4,6,7-tetrahydro-2H-pyrimido[1,2-c]quinazoline

C17H17N3 — CID 154269156

IUPAC6-phenyl-3,4,6,7-tetrahydro-2H-pyrimido[1,2-c]quinazoline
SMILESc1ccc(C2Nc3ccccc3C3=NCCCN32)cc1
InChIInChI=1S/C17H17N3/c1-2-7-13(8-3-1)16-19-15-10-5-4-9-14(15)17-18-11-6-12-20(16)17/h1-5,7-10,16,19H,6,11-12H2
InChIKeyQOFMPGBTFIWZLE-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.26
Rot. Bonds1

About 6-phenyl-3,4,6,7-tetrahydro-2H-pyrimido[1,2-c]quinazoline

6-phenyl-3,4,6,7-tetrahydro-2H-pyrimido[1,2-c]quinazoline (PubChem CID 154269156) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-phenyl-3,4,6,7-tetrahydro-2H-pyrimido[1,2-c]quinazoline.

Molecular Properties

Compound Name6-phenyl-3,4,6,7-tetrahydro-2H-pyrimido[1,2-c]quinazoline
PubChem CID154269156
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name6-phenyl-3,4,6,7-tetrahydro-2H-pyrimido[1,2-c]quinazoline
SMILESc1ccc(C2Nc3ccccc3C3=NCCCN32)cc1
InChIInChI=1S/C17H17N3/c1-2-7-13(8-3-1)16-19-15-10-5-4-9-14(15)17-18-11-6-12-20(16)17/h1-5,7-10,16,19H,6,11-12H2
InChIKeyQOFMPGBTFIWZLE-UHFFFAOYSA-N
XLogP3.26
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3,4,6,7-tetrahydro-2H-pyrimido[1,2-c]quinazoline?
The IUPAC name of 6-phenyl-3,4,6,7-tetrahydro-2H-pyrimido[1,2-c]quinazoline (CID 154269156) is 6-phenyl-3,4,6,7-tetrahydro-2H-pyrimido[1,2-c]quinazoline.
What is the SMILES notation for 6-phenyl-3,4,6,7-tetrahydro-2H-pyrimido[1,2-c]quinazoline?
The canonical SMILES for 6-phenyl-3,4,6,7-tetrahydro-2H-pyrimido[1,2-c]quinazoline is c1ccc(C2Nc3ccccc3C3=NCCCN32)cc1.
What is the InChIKey of 6-phenyl-3,4,6,7-tetrahydro-2H-pyrimido[1,2-c]quinazoline?
The InChIKey is QOFMPGBTFIWZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-2-7-13(8-3-1)16-19-15-10-5-4-9-14(15)17-18-11-6-12-20(16)17/h1-5,7-10,16,19H,6,11-12H2.
What are the key properties of 6-phenyl-3,4,6,7-tetrahydro-2H-pyrimido[1,2-c]quinazoline?
6-phenyl-3,4,6,7-tetrahydro-2H-pyrimido[1,2-c]quinazoline has a molecular weight of 263.34 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3,4,6,7-tetrahydro-2H-pyrimido[1,2-c]quinazoline is sourced from PubChem (CID 154269156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).