(6aR,12aS)-6-prop-2-enyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine

C18H20N4 — CID 10424439

IUPAC(6aR,12aS)-6-prop-2-enyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine
SMILESC=CCN1Cc2ccccc2[C@@H]2Cc3nc(N)ncc3C[C@H]21
InChIInChI=1S/C18H20N4/c1-2-7-22-11-12-5-3-4-6-14(12)15-9-16-13(8-17(15)22)10-20-18(19)21-16/h2-6,10,15,17H,1,7-9,11H2,(H2,19,20,21)/t15-,17+/m0/s1
InChIKeyFAOSZQFJYCYCHA-DOTOQJQBSA-N
MW292.39 g/mol
LogP2.31
Rot. Bonds2

About (6aR,12aS)-6-prop-2-enyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine

(6aR,12aS)-6-prop-2-enyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine (PubChem CID 10424439) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is (6aR,12aS)-6-prop-2-enyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine.

Molecular Properties

Compound Name(6aR,12aS)-6-prop-2-enyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine
PubChem CID10424439
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name(6aR,12aS)-6-prop-2-enyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine
SMILESC=CCN1Cc2ccccc2[C@@H]2Cc3nc(N)ncc3C[C@H]21
InChIInChI=1S/C18H20N4/c1-2-7-22-11-12-5-3-4-6-14(12)15-9-16-13(8-17(15)22)10-20-18(19)21-16/h2-6,10,15,17H,1,7-9,11H2,(H2,19,20,21)/t15-,17+/m0/s1
InChIKeyFAOSZQFJYCYCHA-DOTOQJQBSA-N
XLogP2.31
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (6aR,12aS)-6-prop-2-enyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6aR,12aS)-6-prop-2-enyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine?
The IUPAC name of (6aR,12aS)-6-prop-2-enyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine (CID 10424439) is (6aR,12aS)-6-prop-2-enyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine.
What is the SMILES notation for (6aR,12aS)-6-prop-2-enyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine?
The canonical SMILES for (6aR,12aS)-6-prop-2-enyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine is C=CCN1Cc2ccccc2[C@@H]2Cc3nc(N)ncc3C[C@H]21.
What is the InChIKey of (6aR,12aS)-6-prop-2-enyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine?
The InChIKey is FAOSZQFJYCYCHA-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H20N4/c1-2-7-22-11-12-5-3-4-6-14(12)15-9-16-13(8-17(15)22)10-20-18(19)21-16/h2-6,10,15,17H,1,7-9,11H2,(H2,19,20,21)/t15-,17+/m0/s1.
What are the key properties of (6aR,12aS)-6-prop-2-enyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine?
(6aR,12aS)-6-prop-2-enyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine has a molecular weight of 292.39 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,12aS)-6-prop-2-enyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine is sourced from PubChem (CID 10424439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).