(5S)-2-N,2-N-dimethyl-5-N-(oxan-4-yl)-5,6,7,8-tetrahydroquinazoline-2,5-diamine

C15H24N4O — CID 25446996

IUPAC(5S)-2-N,2-N-dimethyl-5-N-(oxan-4-yl)-5,6,7,8-tetrahydroquinazoline-2,5-diamine
SMILESCN(C)c1ncc2c(n1)CCC[C@@H]2NC1CCOCC1
InChIInChI=1S/C15H24N4O/c1-19(2)15-16-10-12-13(4-3-5-14(12)18-15)17-11-6-8-20-9-7-11/h10-11,13,17H,3-9H2,1-2H3/t13-/m0/s1
InChIKeyYSJLSYBWLFOBHV-ZDUSSCGKSA-N
MW276.38 g/mol
LogP1.69
Rot. Bonds3

About (5S)-2-N,2-N-dimethyl-5-N-(oxan-4-yl)-5,6,7,8-tetrahydroquinazoline-2,5-diamine

(5S)-2-N,2-N-dimethyl-5-N-(oxan-4-yl)-5,6,7,8-tetrahydroquinazoline-2,5-diamine (PubChem CID 25446996) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (5S)-2-N,2-N-dimethyl-5-N-(oxan-4-yl)-5,6,7,8-tetrahydroquinazoline-2,5-diamine.

Molecular Properties

Compound Name(5S)-2-N,2-N-dimethyl-5-N-(oxan-4-yl)-5,6,7,8-tetrahydroquinazoline-2,5-diamine
PubChem CID25446996
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(5S)-2-N,2-N-dimethyl-5-N-(oxan-4-yl)-5,6,7,8-tetrahydroquinazoline-2,5-diamine
SMILESCN(C)c1ncc2c(n1)CCC[C@@H]2NC1CCOCC1
InChIInChI=1S/C15H24N4O/c1-19(2)15-16-10-12-13(4-3-5-14(12)18-15)17-11-6-8-20-9-7-11/h10-11,13,17H,3-9H2,1-2H3/t13-/m0/s1
InChIKeyYSJLSYBWLFOBHV-ZDUSSCGKSA-N
XLogP1.69
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-N,2-N-dimethyl-5-N-(oxan-4-yl)-5,6,7,8-tetrahydroquinazoline-2,5-diamine?
The IUPAC name of (5S)-2-N,2-N-dimethyl-5-N-(oxan-4-yl)-5,6,7,8-tetrahydroquinazoline-2,5-diamine (CID 25446996) is (5S)-2-N,2-N-dimethyl-5-N-(oxan-4-yl)-5,6,7,8-tetrahydroquinazoline-2,5-diamine.
What is the SMILES notation for (5S)-2-N,2-N-dimethyl-5-N-(oxan-4-yl)-5,6,7,8-tetrahydroquinazoline-2,5-diamine?
The canonical SMILES for (5S)-2-N,2-N-dimethyl-5-N-(oxan-4-yl)-5,6,7,8-tetrahydroquinazoline-2,5-diamine is CN(C)c1ncc2c(n1)CCC[C@@H]2NC1CCOCC1.
What is the InChIKey of (5S)-2-N,2-N-dimethyl-5-N-(oxan-4-yl)-5,6,7,8-tetrahydroquinazoline-2,5-diamine?
The InChIKey is YSJLSYBWLFOBHV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N4O/c1-19(2)15-16-10-12-13(4-3-5-14(12)18-15)17-11-6-8-20-9-7-11/h10-11,13,17H,3-9H2,1-2H3/t13-/m0/s1.
What are the key properties of (5S)-2-N,2-N-dimethyl-5-N-(oxan-4-yl)-5,6,7,8-tetrahydroquinazoline-2,5-diamine?
(5S)-2-N,2-N-dimethyl-5-N-(oxan-4-yl)-5,6,7,8-tetrahydroquinazoline-2,5-diamine has a molecular weight of 276.38 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-N,2-N-dimethyl-5-N-(oxan-4-yl)-5,6,7,8-tetrahydroquinazoline-2,5-diamine is sourced from PubChem (CID 25446996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).