N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine

C14H15N3 — CID 51371056

IUPACN-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESc1ccc(Nc2ncc3c(n2)CCCC3)cc1
InChIInChI=1S/C14H15N3/c1-2-7-12(8-3-1)16-14-15-10-11-6-4-5-9-13(11)17-14/h1-3,7-8,10H,4-6,9H2,(H,15,16,17)
InChIKeyCDYAOTQTBFPDQP-UHFFFAOYSA-N
MW225.30 g/mol
LogP3.10
Rot. Bonds2

About N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine

N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 51371056) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound NameN-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID51371056
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC NameN-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESc1ccc(Nc2ncc3c(n2)CCCC3)cc1
InChIInChI=1S/C14H15N3/c1-2-7-12(8-3-1)16-14-15-10-11-6-4-5-9-13(11)17-14/h1-3,7-8,10H,4-6,9H2,(H,15,16,17)
InChIKeyCDYAOTQTBFPDQP-UHFFFAOYSA-N
XLogP3.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine (CID 51371056) is N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine is c1ccc(Nc2ncc3c(n2)CCCC3)cc1.
What is the InChIKey of N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is CDYAOTQTBFPDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-2-7-12(8-3-1)16-14-15-10-11-6-4-5-9-13(11)17-14/h1-3,7-8,10H,4-6,9H2,(H,15,16,17).
What are the key properties of N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine?
N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 225.30 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 51371056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).