4-N-(3-azabicyclo[3.1.0]hexan-1-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine

C19H23N5 — CID 76637694

IUPAC4-N-(3-azabicyclo[3.1.0]hexan-1-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESNc1nc(NC23CNCC2C3)c2c(n1)C(c1ccccc1)CCC2
InChIInChI=1S/C19H23N5/c20-18-22-16-14(12-5-2-1-3-6-12)7-4-8-15(16)17(23-18)24-19-9-13(19)10-21-11-19/h1-3,5-6,13-14,21H,4,7-11H2,(H3,20,22,23,24)
InChIKeyZTFBZVHCMPEUQJ-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.30
Rot. Bonds3

About 4-N-(3-azabicyclo[3.1.0]hexan-1-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine

4-N-(3-azabicyclo[3.1.0]hexan-1-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine (PubChem CID 76637694) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 4-N-(3-azabicyclo[3.1.0]hexan-1-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-azabicyclo[3.1.0]hexan-1-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
PubChem CID76637694
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name4-N-(3-azabicyclo[3.1.0]hexan-1-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESNc1nc(NC23CNCC2C3)c2c(n1)C(c1ccccc1)CCC2
InChIInChI=1S/C19H23N5/c20-18-22-16-14(12-5-2-1-3-6-12)7-4-8-15(16)17(23-18)24-19-9-13(19)10-21-11-19/h1-3,5-6,13-14,21H,4,7-11H2,(H3,20,22,23,24)
InChIKeyZTFBZVHCMPEUQJ-UHFFFAOYSA-N
XLogP2.30
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-N-(3-azabicyclo[3.1.0]hexan-1-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine with MolForge

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Related Compounds

4-N-(1-azabicyclo[2.2.2]octan-3-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 76637688
4-methoxy-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine;pyrrolidine
CID 143872889
5-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 123411248
1-phenyl-2,3,4,9-tetrahydro-1H-carbazole
CID 20568385
4,10-diphenyl-1,2,3,4,7,8,9,10-octahydrophenanthridine
CID 630916
2-amino-4-[5-(hydroxymethyl)furan-2-yl]-8-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 56871594
2,4-dichloro-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 58075463
4-[(2R,4R)-4-amino-2-methylpyrrolidin-1-yl]-N,N-dimethyl-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 70961398
2-chloro-7-phenyl-N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 87096302
4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
CID 134116460
2-N-(3-methoxyphenyl)-4-N-methyl-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
CID 50913054
4-(3,7-diazabicyclo[4.2.0]octan-3-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline
CID 143872892

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-azabicyclo[3.1.0]hexan-1-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The IUPAC name of 4-N-(3-azabicyclo[3.1.0]hexan-1-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine (CID 76637694) is 4-N-(3-azabicyclo[3.1.0]hexan-1-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(3-azabicyclo[3.1.0]hexan-1-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The canonical SMILES for 4-N-(3-azabicyclo[3.1.0]hexan-1-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine is Nc1nc(NC23CNCC2C3)c2c(n1)C(c1ccccc1)CCC2.
What is the InChIKey of 4-N-(3-azabicyclo[3.1.0]hexan-1-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The InChIKey is ZTFBZVHCMPEUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c20-18-22-16-14(12-5-2-1-3-6-12)7-4-8-15(16)17(23-18)24-19-9-13(19)10-21-11-19/h1-3,5-6,13-14,21H,4,7-11H2,(H3,20,22,23,24).
What are the key properties of 4-N-(3-azabicyclo[3.1.0]hexan-1-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
4-N-(3-azabicyclo[3.1.0]hexan-1-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine has a molecular weight of 321.43 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-azabicyclo[3.1.0]hexan-1-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine is sourced from PubChem (CID 76637694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).