(6aR,12aS)-5,6,6a,7,12,12a-hexahydropyrimido[4,5-b]phenanthridin-10-amine

C15H16N4 — CID 10538771

IUPAC(6aR,12aS)-5,6,6a,7,12,12a-hexahydropyrimido[4,5-b]phenanthridin-10-amine
SMILESNc1ncc2c(n1)C[C@H]1c3ccccc3CN[C@@H]1C2
InChIInChI=1S/C15H16N4/c16-15-18-8-10-5-14-12(6-13(10)19-15)11-4-2-1-3-9(11)7-17-14/h1-4,8,12,14,17H,5-7H2,(H2,16,18,19)/t12-,14+/m0/s1
InChIKeyAKSXJGUJIHQAOG-GXTWGEPZSA-N
MW252.32 g/mol
LogP1.41
Rot. Bonds

About (6aR,12aS)-5,6,6a,7,12,12a-hexahydropyrimido[4,5-b]phenanthridin-10-amine

(6aR,12aS)-5,6,6a,7,12,12a-hexahydropyrimido[4,5-b]phenanthridin-10-amine (PubChem CID 10538771) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is (6aR,12aS)-5,6,6a,7,12,12a-hexahydropyrimido[4,5-b]phenanthridin-10-amine.

Molecular Properties

Compound Name(6aR,12aS)-5,6,6a,7,12,12a-hexahydropyrimido[4,5-b]phenanthridin-10-amine
PubChem CID10538771
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name(6aR,12aS)-5,6,6a,7,12,12a-hexahydropyrimido[4,5-b]phenanthridin-10-amine
SMILESNc1ncc2c(n1)C[C@H]1c3ccccc3CN[C@@H]1C2
InChIInChI=1S/C15H16N4/c16-15-18-8-10-5-14-12(6-13(10)19-15)11-4-2-1-3-9(11)7-17-14/h1-4,8,12,14,17H,5-7H2,(H2,16,18,19)/t12-,14+/m0/s1
InChIKeyAKSXJGUJIHQAOG-GXTWGEPZSA-N
XLogP1.41
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6aR,12aS)-5,6,6a,7,12,12a-hexahydropyrimido[4,5-b]phenanthridin-10-amine with MolForge

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Related Compounds

(NE)-N-[(7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 46937132
N-(4-methylphenyl)-4-quinolin-4-ylpyrimidin-2-amine
CID 44820374
6-(Piperazin-1-yl)-3,5-diazatricyclo[8.4.0.0^{2,7}]tetradeca-1(14),2,4,6,10,12-hexaen-4-amine
CID 25071940
6-(4-Methylpiperazin-1-yl)-3,5-diazatricyclo[8.4.0.0^{2,7}]tetradeca-1(14),2,4,6,10,12-hexaen-4-amine
CID 25128822
(1-(4-(Naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methanamine
CID 25199517
(6s)-6-Phenyl-5,6-Dihydrobenzo[h]quinazolin-2-Amine
CID 51346202
5,6-Dihydrobenzo[h]quinazolin-2-amine
CID 2763483
N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 51371056
5,5-Dimethyl-8-[1-(piperidin-4-yl)ethenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine
CID 134817499
N-(4-methylphenyl)-4-quinolin-3-ylpyrimidin-2-amine
CID 44820377
N-naphthalen-1-yl-2-pyridin-4-ylquinazolin-4-amine
CID 921313
Pyrido[4,3-D]pyrimidin-4-amine, 5,6,7,8-tetrahydro-6-(phenylmethyl)-
CID 258147

Frequently Asked Questions

What is the IUPAC name of (6aR,12aS)-5,6,6a,7,12,12a-hexahydropyrimido[4,5-b]phenanthridin-10-amine?
The IUPAC name of (6aR,12aS)-5,6,6a,7,12,12a-hexahydropyrimido[4,5-b]phenanthridin-10-amine (CID 10538771) is (6aR,12aS)-5,6,6a,7,12,12a-hexahydropyrimido[4,5-b]phenanthridin-10-amine.
What is the SMILES notation for (6aR,12aS)-5,6,6a,7,12,12a-hexahydropyrimido[4,5-b]phenanthridin-10-amine?
The canonical SMILES for (6aR,12aS)-5,6,6a,7,12,12a-hexahydropyrimido[4,5-b]phenanthridin-10-amine is Nc1ncc2c(n1)C[C@H]1c3ccccc3CN[C@@H]1C2.
What is the InChIKey of (6aR,12aS)-5,6,6a,7,12,12a-hexahydropyrimido[4,5-b]phenanthridin-10-amine?
The InChIKey is AKSXJGUJIHQAOG-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H16N4/c16-15-18-8-10-5-14-12(6-13(10)19-15)11-4-2-1-3-9(11)7-17-14/h1-4,8,12,14,17H,5-7H2,(H2,16,18,19)/t12-,14+/m0/s1.
What are the key properties of (6aR,12aS)-5,6,6a,7,12,12a-hexahydropyrimido[4,5-b]phenanthridin-10-amine?
(6aR,12aS)-5,6,6a,7,12,12a-hexahydropyrimido[4,5-b]phenanthridin-10-amine has a molecular weight of 252.32 g/mol, XLogP of 1.41, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,12aS)-5,6,6a,7,12,12a-hexahydropyrimido[4,5-b]phenanthridin-10-amine is sourced from PubChem (CID 10538771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).