(5aS,9aS)-6-methyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine

C12H18N4 — CID 18596266

IUPAC(5aS,9aS)-6-methyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine
SMILESCN1CCC[C@H]2Cc3nc(N)ncc3C[C@@H]21
InChIInChI=1S/C12H18N4/c1-16-4-2-3-8-5-10-9(6-11(8)16)7-14-12(13)15-10/h7-8,11H,2-6H2,1H3,(H2,13,14,15)/t8-,11-/m0/s1
InChIKeyUEKDYDQPOFVKAZ-KWQFWETISA-N
MW218.30 g/mol
LogP0.87
Rot. Bonds

About (5aS,9aS)-6-methyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine

(5aS,9aS)-6-methyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine (PubChem CID 18596266) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is (5aS,9aS)-6-methyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine.

Molecular Properties

Compound Name(5aS,9aS)-6-methyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine
PubChem CID18596266
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name(5aS,9aS)-6-methyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine
SMILESCN1CCC[C@H]2Cc3nc(N)ncc3C[C@@H]21
InChIInChI=1S/C12H18N4/c1-16-4-2-3-8-5-10-9(6-11(8)16)7-14-12(13)15-10/h7-8,11H,2-6H2,1H3,(H2,13,14,15)/t8-,11-/m0/s1
InChIKeyUEKDYDQPOFVKAZ-KWQFWETISA-N
XLogP0.87
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5aS,9aS)-6-methyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine?
The IUPAC name of (5aS,9aS)-6-methyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine (CID 18596266) is (5aS,9aS)-6-methyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine.
What is the SMILES notation for (5aS,9aS)-6-methyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine?
The canonical SMILES for (5aS,9aS)-6-methyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine is CN1CCC[C@H]2Cc3nc(N)ncc3C[C@@H]21.
What is the InChIKey of (5aS,9aS)-6-methyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine?
The InChIKey is UEKDYDQPOFVKAZ-KWQFWETISA-N. The full InChI is InChI=1S/C12H18N4/c1-16-4-2-3-8-5-10-9(6-11(8)16)7-14-12(13)15-10/h7-8,11H,2-6H2,1H3,(H2,13,14,15)/t8-,11-/m0/s1.
What are the key properties of (5aS,9aS)-6-methyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine?
(5aS,9aS)-6-methyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine has a molecular weight of 218.30 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5aS,9aS)-6-methyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine is sourced from PubChem (CID 18596266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).