(5S)-2-phenyl-N-piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-5-amine

C19H24N4 — CID 97133887

IUPAC(5S)-2-phenyl-N-piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESc1ccc(-c2ncc3c(n2)CCC[C@@H]3NC2CCNCC2)cc1
InChIInChI=1S/C19H24N4/c1-2-5-14(6-3-1)19-21-13-16-17(7-4-8-18(16)23-19)22-15-9-11-20-12-10-15/h1-3,5-6,13,15,17,20,22H,4,7-12H2/t17-/m0/s1
InChIKeyVKWJVBIJSHEJLS-KRWDZBQOSA-N
MW308.43 g/mol
LogP2.86
Rot. Bonds3

About (5S)-2-phenyl-N-piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-5-amine

(5S)-2-phenyl-N-piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 97133887) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is (5S)-2-phenyl-N-piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound Name(5S)-2-phenyl-N-piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID97133887
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name(5S)-2-phenyl-N-piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESc1ccc(-c2ncc3c(n2)CCC[C@@H]3NC2CCNCC2)cc1
InChIInChI=1S/C19H24N4/c1-2-5-14(6-3-1)19-21-13-16-17(7-4-8-18(16)23-19)22-15-9-11-20-12-10-15/h1-3,5-6,13,15,17,20,22H,4,7-12H2/t17-/m0/s1
InChIKeyVKWJVBIJSHEJLS-KRWDZBQOSA-N
XLogP2.86
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-phenyl-N-piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of (5S)-2-phenyl-N-piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-5-amine (CID 97133887) is (5S)-2-phenyl-N-piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for (5S)-2-phenyl-N-piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for (5S)-2-phenyl-N-piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-5-amine is c1ccc(-c2ncc3c(n2)CCC[C@@H]3NC2CCNCC2)cc1.
What is the InChIKey of (5S)-2-phenyl-N-piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is VKWJVBIJSHEJLS-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N4/c1-2-5-14(6-3-1)19-21-13-16-17(7-4-8-18(16)23-19)22-15-9-11-20-12-10-15/h1-3,5-6,13,15,17,20,22H,4,7-12H2/t17-/m0/s1.
What are the key properties of (5S)-2-phenyl-N-piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-5-amine?
(5S)-2-phenyl-N-piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 308.43 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-phenyl-N-piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 97133887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).